SCHEMBL82305

SCHEMBL82305

Cc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
MAPT P10636 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
PTPN1 P18031 2/20 0.71
CACNA1B Q00975 1/20 0.70
APBA1 Q02410 1/20 0.70
KMT2A Q03164 2/20 0.69
SIRT1 Q96EB6 1/20 0.69
MEN1 O00255 1/20 0.69
KDM4E B2RXH2 1/20 0.69
POLB P06746 1/20 0.69
PTGS2 P35354 1/20 0.68
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 1/20 0.64

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
Iodide SCHEMBL30758618 0.98 RAB9A (0.96) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL23484358 0.94 NPC1 (0.89) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL11936816 0.93 RAB9A (0.86) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL178425 0.92 RAB9A (0.85) RAB9ANPC1MAPTSMN1; SMN2PTPN1
SCHEMBL14580374 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL27181403 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL12310125 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL822378 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL15214321 0.90 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL126415 0.89 PTPN1 (0.87) RAB9ANPC1MAPTSMN1; SMN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116464-B (E) -4- (pyridylformylhydrazono) -N-phenylbenzamide antitumor compounds 中国医科大学 2022-09-13 CN claimed
EP-3303290-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
EP-3303291-A1 ROR GAMMA (ROR ) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
WO-2016193452-A1 ROR GAMMA (RORγ) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed
WO-2016193459-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed
EP-2726459-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION Institute for Hepatitis and Virus Research (US) 2014-05-07 EP claimed
WO-2013006394-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH (US) 2013-01-10 WO claimed
CN-1934107-A 2- (3-substituted aryl) amino-4-aryl-thiazoles as tyrosine kinase inhibitors AB SCIENCE (FR) 2007-03-21 CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
EP-0620122-B1 Thermosensitive recording material NEW OJI PAPER CO LTD (JP) 1996-03-13 EP claimed
US-5446010-A Substrate sheet, thermosensitive colored image forming layer containing colorless dye precursor, binder, color developing agent having sulfonylureido group, aromatic amide sensitizer; storage stability NEW OJI PAPER CO., LTD. (JP) 1995-08-29 US claimed
EP-0620122-A1 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-10-19 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885MAPT 2771/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885MAPT 2771/4885

“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.