SCHEMBL3774061

SCHEMBL3774061

O=C1c2ccccc2C(=O)N1CCO[N+](=O)OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ RAB9A P51151 8/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ GLS O94925 1/20 0.52
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL3774059 0.86 ALDH1A1 (0.52) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL3779983 0.81 CA12 (0.46) RAB9ASMN1; SMN2MAPTTSHRGLS
SCHEMBL2743018 0.80 HPGD (0.61) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL8862746 0.79 GAA (0.60) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL8862940 0.79 GAA (0.60) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL7519591 0.79 GAA (0.60) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL8862856 0.79 GAA (0.60) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL6699936 0.77 GLS (0.71) RAB9ASMN1; SMN2MAPTNPC1GLS
SCHEMBL23791105 0.77 HPGD (0.57) HPGDNPSR1RAB9ASMN1; SMN2MAPT
SCHEMBL3642366 0.77 RAB9A (0.65) HPGDNPSR1RAB9ASMN1; SMN2MAPT

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 HPGD 119/4885NPSR1 1777/4885RAB9A 4108/4885
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 HPGD 119/4885NPSR1 1777/4885RAB9A 4108/4885
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 HPGD 128/4885NPSR1 978/4885RAB9A 4464/4885

“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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