SCHEMBL429453

SCHEMBL429453

[C]1CNc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL378567 0.78 ALOX15 (0.41) ALOX15HSD17B10GAANPSR1NPC1
SCHEMBL8345058 0.75 MAPT (0.43) ALOX15HSD17B10GAANPSR1NPC1
SCHEMBL1623564 0.68
SCHEMBL157430 0.68
SCHEMBL446944 0.68 ALOX15 (0.39) ALOX15HSD17B10GAANPSR1NPC1
SCHEMBL30668800 0.67
SCHEMBL1828551 0.67
SCHEMBL2041999 0.67
SCHEMBL19678 0.67
Ammonia Solution, Strong SCHEMBL7208186 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-8853418-B2 Cyclopentylpyrazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2014-10-07 US claimed
US-20140051660-A1 CYCLOPENTYLPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2014-02-20 US claimed
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US claimed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US claimed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US claimed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP claimed
JP-4554364-B2 2010-09-29 JP claimed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP claimed
US-20090221562-A1 NOVEL OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2009-09-03 US claimed
JP-H08505862-A 1996-06-25 JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP claimed
EP-0403398-B1 New thioformamide derivatives RHONE POULENC SANTE (FR) 1994-11-30 EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO claimed
EP-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP claimed
US-5151436-A Compounds for inhibiting hair loss in men RHONE-POULENC SANTE (FR) 1992-09-29 US claimed
US-5128346-A Cholecystokinin antagonists ABBOTT LABORATORIES (US) 1992-07-07 US claimed
EP-0404671-A1 Thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-12-27 EP claimed
EP-0403398-A1 New thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-12-19 EP claimed
EP-0321274-A1 Derivatives of thioformamide RHONE POULENC RORER LIMITED (GB) 1989-06-21 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 (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-20090221562-A1 NOVEL OPIOID ANTAGONISTS OPRK1, OPRM1, OPRL1 ALOX15 1599/4885HSD17B10 3123/4885GAA 3219/4885
US-20140051660-A1 CYCLOPENTYLPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1A, CACNA1B, CACNA1E ALOX15 1258/4885HSD17B10 3779/4885GAA 2598/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALOX15 1027/4885HSD17B10 3564/4885GAA 4177/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 ALOX15 889/4885HSD17B10 3544/4885GAA 4072/4885

“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.