SCHEMBL3779981

SCHEMBL3779981

O=C1c2ccccc2C(=O)N1CO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ GLS O94925 1/20 0.43
▸ SCN2A Q99250 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3779983 0.85 CA12 (0.46) POLBALDH1A1CA12CA9GLS
SCHEMBL3774059 0.82 ALDH1A1 (0.52) ALDH1A1GLSTSHRKMT2ALMNA
SCHEMBL10913065 0.80 MAPT (0.59) ALDH1A1LMNAAGTR1RAB9AMAPT
SCHEMBL1626840 0.76 CA12 (0.52) ALDH1A1CA12CA9GLSMEN1
SCHEMBL27756774 0.75 ALDH1A1 (0.54) ALDH1A1HTTCA12CA9GLS
SCHEMBL9770478 0.74 SCN2A (0.54) POLBALDH1A1HTTSCN2ALMNA
SCHEMBL14667442 0.72 CA12 (0.48) ALDH1A1CA12CA9GLSMEN1
SCHEMBL10441170 0.72 ALDH1A1 (0.50) ALDH1A1CA12CA9GLSRAB9A
SCHEMBL10274446 0.72 ALDH1A1 (0.48) ALDH1A1
SCHEMBL3774061 0.70 HPGD (0.54) ALDH1A1GLSTSHRKMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338474-B2 Use of phthalimide and/or sulphonamide derivatives in the treatment of diseases which require reducing the TNF-α levels and an exogenous source of nitric oxide, phthalimide derivatives, sulphonamide derivatives, and a method for obtaining a sulphonamide derivative DOS SANTOS JEAN LEANDRO (BR) 2012-12-25 — — US disclosed
US-8338474-B2 Use of phthalimide and/or sulphonamide derivatives in the treatment of diseases which require reducing the TNF-α levels and an exogenous source of nitric oxide, phthalimide derivatives, sulphonamide derivatives, and a method for obtaining a sulphonamide derivative DOS SANTOS JEAN LEANDRO (BR) 2012-12-25 — — US disclosed
US-8338474-B2 Use of phthalimide and/or sulphonamide derivatives in the treatment of diseases which require reducing the TNF-α levels and an exogenous source of nitric oxide, phthalimide derivatives, sulphonamide derivatives, and a method for obtaining a sulphonamide derivative DOS SANTOS JEAN LEANDRO (BR) 2012-12-25 — — US disclosed
US-8314255-B2 Use of phthalimide and/or sulphonamide derivatives in the treatment of diseases which require reducing the TNF- α levels and an exogenous source of nitric oxide, phthalimide derivatives, sulphonamide derivatives, and a method for obtaining a sulphonamide derivative DOS SANTOS JEAN LEANDRO (BR) 2012-11-20 — — US disclosed
US-8314255-B2 Use of phthalimide and/or sulphonamide derivatives in the treatment of diseases which require reducing the TNF- α levels and an exogenous source of nitric oxide, phthalimide derivatives, sulphonamide derivatives, and a method for obtaining a sulphonamide derivative DOS SANTOS JEAN LEANDRO (BR) 2012-11-20 — — US disclosed
US-20120245364-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2012-09-27 — — US disclosed
US-20120245364-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2012-09-27 — — US disclosed
US-20120157690-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2012-06-21 — — US disclosed
US-20120157690-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2012-06-21 — — US disclosed
CN-101951901-A The application of phthalimide derivant in the treatment disease UNICAMP 2011-01-19 — — CN disclosed
US-20100324107-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2010-12-23 — — US disclosed
US-20100324107-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2010-12-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157690-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE TNF, HBZ, HBG1 POLB 1164/4885ALDH1A1 1484/4885HTT 116/4885
US-20120245364-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE TNF, HBZ, HBG1 POLB 1164/4885ALDH1A1 1484/4885HTT 116/4885
US-20100324107-A1 USE OF PHTHALIMIDE AND/OR SULPHONAMIDE DERIVATIVES IN THE TREATMENT OF DISEASES WHICH REQUIRE REDUCING THE TNF-alpha LEVELS AND AN EXOGENOUS SOURCE OF NITRIC OXIDE, PHTHALIMIDE DERIVATIVES, SULPHONAMIDE DERIVATIVES, AND A METHOD FOR OBTAINING A SULPHONAMIDE DERIVATIVE TNF, HBZ, HBG2 POLB 1376/4885ALDH1A1 861/4885HTT 99/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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