SCHEMBL2467682

SCHEMBL2467682

Cc1cc(C(N)=O)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
PARP1 P09874 2/20 0.48
BCAT2 O15382 1/20 0.46
SLC6A4 P31645 4/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.44
MCL1 Q07820 1/20 0.43
LCK P06239 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 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
SCHEMBL1755245 0.83 HPGD (0.51) PARP1BCAT2SLC6A4SLC6A2SLC6A3
SCHEMBL14894712 0.83 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL4352652 0.83 HTT (0.53) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27585336 0.82 HPGD (0.50) PARP1BCAT2SLC6A4SLC6A2SLC6A3
SCHEMBL2972020 0.81 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL312135 0.81 MAPT (0.52) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL703101 0.81 TSHR (0.65) TAS1R3TAS1R1TAS1R2CYP1A2TSHR
SCHEMBL6632819 0.81 PARP1 (0.50) PARP1TSHRLCKSMN1; SMN2KDM4E
SCHEMBL29554593 0.81 MAPT (0.52) TAS1R3TAS1R1TAS1R2CYP1A2CYP3A4
SCHEMBL1002832 0.80 PRSS1 (0.61) PARP1LCKSMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
EP-2398769-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 US claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
JP-2007523865-A 2007-08-23 JP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO 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 (5 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 TAS1R3 2089/4885TAS1R1 1785/4885TAS1R2 2082/4885
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 TAS1R3 3884/4885TAS1R1 3727/4885TAS1R2 3354/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 TAS1R3 102/4885TAS1R1 73/4885TAS1R2 112/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE TAS1R3 2024/4885TAS1R1 1856/4885TAS1R2 2204/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 TAS1R3 404/4885TAS1R1 132/4885TAS1R2 382/4885

“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.