SCHEMBL3774059

SCHEMBL3774059

O=C1c2ccccc2C(=O)N1CCO[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAB9A P51151 9/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GLS O94925 1/20 0.49
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ BRCA1 P38398 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL10913065 0.90 MAPT (0.59) ALDH1A1LMNAAGTR1RAB9ASMN1; SMN2
SCHEMBL3774061 0.86 HPGD (0.54) ALDH1A1LMNAAGTR1HPGDNPSR1
SCHEMBL10912078 0.84 CA1 (0.44) ALDH1A1LMNAAGTR1HPGDNPSR1
SCHEMBL10913396 0.82 CA1 (0.57) ALDH1A1LMNAAGTR1RAB9AKMT2A
SCHEMBL3779981 0.82 POLB (0.47) ALDH1A1LMNAAGTR1NPSR1RAB9A
SCHEMBL10911693 0.82 ACHE (0.42) ALDH1A1LMNAAGTR1RAB9AMAPT
SCHEMBL10913972 0.82 ALOX5 (0.56) RAB9ASMN1; SMN2
SCHEMBL10913843 0.82 ESR1 (0.48) ALDH1A1LMNAAGTR1KMT2A
SCHEMBL18461333 0.78 HPGD (0.57) ALDH1A1LMNAHPGDNPSR1RAB9A
SCHEMBL2743018 0.77 HPGD (0.61) ALDH1A1HPGDNPSR1RAB9ANPC1

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-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
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP 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 ALDH1A1 1484/4885LMNA 3058/4885AGTR1 2459/4885
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 ALDH1A1 1484/4885LMNA 3058/4885AGTR1 2459/4885
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 ALDH1A1 861/4885LMNA 3129/4885AGTR1 2053/4885

“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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