SCHEMBL992819

SCHEMBL992819

CN1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 1.00
NPBWR1 P48145 1/20 0.74
MCHR1 Q99705 1/20 0.74
L3MBTL1 Q9Y468 4/20 0.60
RAB9A P51151 1/20 0.60
ATM Q13315 1/20 0.59
GFER P55789 1/20 0.59
MAPK1 P28482 1/20 0.58
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MCOLN3 Q8TDD5 1/20 0.57
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL5467209 0.85 VCAM1 (0.74) VCAM1NPBWR1MCHR1L3MBTL1CRHBP
SCHEMBL8337970 0.84 VCAM1 (0.73) VCAM1NPBWR1MCHR1L3MBTL1RAB9A
SCHEMBL3622325 0.83 VCAM1 (0.76) VCAM1NPBWR1MCHR1L3MBTL1ATM
SCHEMBL6055083 0.83 VCAM1 (0.69) VCAM1NPBWR1MCHR1L3MBTL1MAPK1
SCHEMBL16371970 0.82 VCAM1 (0.70) VCAM1L3MBTL1RAB9AMEN1KMT2A
SCHEMBL31347245 0.82 VCAM1 (0.69) VCAM1NPBWR1MCHR1L3MBTL1RAB9A
SCHEMBL8049609 0.82 RAB9A (0.85) VCAM1L3MBTL1RAB9AATMMAPK1
SCHEMBL22659755 0.80 VCAM1 (0.67) VCAM1NPBWR1MCHR1L3MBTL1RAB9A
SCHEMBL15823829 0.80 L3MBTL1 (0.67) VCAM1L3MBTL1RAB9AGFER
SCHEMBL5474254 0.79 MEN1 (0.67) VCAM1NPBWR1MCHR1MAPK1MEN1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218357-B1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH VIB VZW (BE) 2020-04-29 EP disclosed
US-9862678-B2 3,4-diaminobenzenesulfonamide derivatives for inhibiting cell death VIB VZW (BE) 2018-01-09 US disclosed
US-20170313653-A1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH VIB VZW (BE) 2017-11-02 US disclosed
EP-3218357-A1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH VIB vzw (BE) 2017-09-20 EP disclosed
EP-3019493-B1 MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2017-06-14 EP disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 US disclosed
WO-2016075330-A1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH VIB VZW (BE) 2016-05-19 WO disclosed
EP-3019493-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP disclosed
EP-2103613-B1 QUINOXALINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-02-17 EP disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
CN-1845734-A Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2006-10-11 CN disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO 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 (4 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-20170313653-A1 3,4-DIAMINOBENZENESULFONAMIDE DERIVATIVES FOR INHIBITING CELL DEATH CASP3, BAX, TMBIM6 VCAM1 3013/4885NPBWR1 2728/4885MCHR1 4662/4885
US-20160176867-A1 MODIFIED BET-PROTEIN-INHIBITING DIHYDROQUINOXALINONES AND DIHYDROPYRIDOPYRAZINONES BRD4, BRDT, BET1 VCAM1 1919/4885NPBWR1 3742/4885MCHR1 4776/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 VCAM1 4044/4885NPBWR1 1471/4885MCHR1 1641/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 VCAM1 2646/4885NPBWR1 4767/4885MCHR1 4762/4885

“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.