SCHEMBL3204625

SCHEMBL3204625

Nc1ccc2c(c1)CCCCC2=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.78
CASP7 P55210 1/20 0.78
HSD17B10 Q99714 1/20 0.78
MAOB P27338 12/20 0.56
MAOA P21397 11/20 0.56
PRKCI P41743 1/20 0.56
HSD17B1 P14061 1/20 0.50
CYP2A6 P11509 1/20 0.48
GRM5 P41594 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
BAZ2B Q9UIF8 1/20 0.46
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
Hydrochloric Acid SCHEMBL5113010 0.98 CASP1 (0.75) CASP1CASP7HSD17B10MAOBMAOA
SCHEMBL929312 0.96 CASP1 (0.78) CASP1CASP7HSD17B10MAOBMAOA
Hydrochloric Acid SCHEMBL23671046 0.94 CASP1 (0.75) CASP1CASP7HSD17B10MAOBMAOA
Sulfuric Acid SCHEMBL315860 0.88 CASP1 (0.66) CASP1CASP7HSD17B10MAOBMAOA
SCHEMBL434358 0.88 CASP1 (1.00) CASP1CASP7HSD17B10MAOBMAOA
Hydrochloric Acid SCHEMBL27821207 0.86 CASP1 (0.96) CASP1CASP7HSD17B10MAOBMAOA
SCHEMBL4878376 0.84 CASP1 (0.55) CASP1CASP7HSD17B10MAOBMAOA
Nitrogen SCHEMBL28460322 0.84 CASP1 (0.92) CASP1CASP7HSD17B10MAOBMAOA
SCHEMBL656011 0.80 CASP1 (0.55) CASP1CASP7HSD17B10MAOBMAOA
SCHEMBL30067461 0.80 CASP1 (0.55) CASP1CASP7HSD17B10MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016025933-A2 SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-02-18 WO disclosed
US-8809396-B2 Substituted fused-ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-19 US disclosed
US-8809396-B2 Substituted fused-ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-19 US disclosed
US-8809396-B2 Substituted fused-ring compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-19 US disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
EP-2240029-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2010-10-20 EP disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
WO-2008103310-A1 SUBSTITUTED FUSED-RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
WO-2008103310-A1 SUBSTITUTED FUSED-RING COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 WO disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
EP-1230244-B1 PYRAZOLECARBOXYLIC ACID TRICYCLIC DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-01-19 EP disclosed
EP-1230244-A2 PYRAZOLECARBOXYLIC ACID TRICYCLIC DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2002-08-14 EP disclosed
WO-2001032663-A2 PYRAZOLECARBOXYLIC ACID TRICYCLIC DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-05-10 WO disclosed
JP-2000007606-A PRODUCTION OF 7-(2-FLUOROPHENYL)-1-BENZOSUBERONE KYOWA HAKKO KOGYO CO LTD 2000-01-11 JP 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 (3 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-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 CASP1 3732/4885CASP7 3328/4885HSD17B10 30/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CASP1 2471/4885CASP7 1873/4885HSD17B10 4144/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 CASP1 216/4885CASP7 640/4885HSD17B10 2246/4885

“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.