SCHEMBL3244643

SCHEMBL3244643

COc1ccc(-n2nccc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.52
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
NPBWR1 P48145 4/20 0.46
MCHR1 Q99705 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
S1PR4 O95977 1/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR1 P21453 1/20 0.45
KMT2A Q03164 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CA12 O43570 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
SCHEMBL23130273 0.79 CYP2C9 (0.49) CYP2C9MAPTLMNANPSR1CYP1A2
SCHEMBL1491081 0.79 POLB (0.58) CYP2C9MAPTLMNAPTGS1PTGS2
SCHEMBL15553292 0.79 MAPT (0.48) CYP2C9MAPTLMNAPTGS1PTGS2
SCHEMBL31466259 0.79 NPBWR1 (0.49) MAPTNPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL5963747 0.79 ALDH1A1 (0.47) CYP2C9MAPTLMNANPBWR1MCHR1
SCHEMBL17910800 0.77 MAPT (0.49) CYP2C9MAPTLMNAPTGS1PTGS2
SCHEMBL17086615 0.76 MAPT (0.52) MAPTPTGS1PTGS2NPBWR1MCHR1
SCHEMBL12988815 0.76 CYP2C9 (0.46) CYP2C9MAPTLMNANPBWR1NPSR1
SCHEMBL18725081 0.76 KDM5A (0.37) CYP2C9MAPTLMNANPSR1ALDH1A1
SCHEMBL15299343 0.76 NPC1 (0.41) CYP2C9MAPTLMNAPTGS2NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-02-21 US disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-09-03 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 US disclosed
US-9724418-B2 Drug combinations comprising a DGAT inhibitor and a PPAR-agonist JANSSEN PHARMACEUTICA NV (BE) 2017-08-08 US disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO disclosed
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-12 US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US disclosed
US-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
WO-2008148840-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 WO disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (10 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-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, DLAT CYP2C9 185/4885MAPT 2039/4885LMNA 2272/4885
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes PPOX, AOC2, AOC3 CYP2C9 230/4885MAPT 3005/4885LMNA 3847/4885
US-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 CYP2C9 659/4885MAPT 2599/4885LMNA 3305/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 CYP2C9 1700/4885MAPT 3590/4885LMNA 3896/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CYP2C9 1700/4885MAPT 3590/4885LMNA 3896/4885
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes PPOX, AOC2, AOC3 CYP2C9 245/4885MAPT 2925/4885LMNA 3653/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CYP2C9 617/4885MAPT 4829/4885LMNA 2443/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 CYP2C9 230/4885MAPT 3005/4885LMNA 3847/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 CYP2C9 230/4885MAPT 3005/4885LMNA 3847/4885
US-20110112111-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 CYP2C9 659/4885MAPT 2599/4885LMNA 3305/4885

“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.