SCHEMBL3779983

SCHEMBL3779983

O=C1c2ccccc2C(=O)N1CO[N+](=O)OCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GLS O94925 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL3779981 0.85 POLB (0.47) CA12CA9GLSMEN1TSHR
SCHEMBL3774061 0.81 HPGD (0.54) GLSTSHRKMT2AMAPTRAB9A
SCHEMBL1626840 0.79 CA12 (0.52) CA12CA9GLSMEN1TSHR
SCHEMBL14667442 0.75 CA12 (0.48) CA12CA9GLSMEN1TSHR
SCHEMBL10441170 0.75 ALDH1A1 (0.50) CA12CA9GLSMAPTRAB9A
SCHEMBL10274446 0.74 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9596644 0.72 CA12 (0.46) CA12CA9GLSMEN1TSHR
SCHEMBL8862760 0.72 CA12 (0.46) CA12CA9GLSMEN1TSHR
SCHEMBL9770647 0.72 RAB9A (0.66) CA12CA9KMT2AMAPTRAB9A
SCHEMBL9596654 0.72 CA12 (0.46) CA12CA9GLSMEN1TSHR

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 5 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-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-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-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 CA12 2652/4885CA9 1690/4885GLS 967/4885
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 CA12 2652/4885CA9 1690/4885GLS 967/4885
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 CA12 2230/4885CA9 1496/4885GLS 1527/4885

“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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