SCHEMBL1828262

SCHEMBL1828262

O=C(Nc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.63
TRPV1 Q8NER1 8/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
PKM P14618 2/20 0.52
MAPT P10636 1/20 0.52
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50

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
SCHEMBL1827038 0.88 NPC1 (0.58) GRM4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL1829494 0.82 TRPV1 (0.60) TRPV1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27656468 0.81 TRPV1 (0.66) TRPV1NPC1RAB9AMAPTPTPN1
SCHEMBL28172197 0.80 TLR7 (0.71) GRM4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL2785436 0.80 TRPV1 (0.47) GRM4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL8297618 0.80 NPC1 (0.59) GRM4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL5964783 0.79 ALDH1A1 (0.51) TRPV1NPC1RAB9AMAPT
SCHEMBL1828384 0.79 TRPV1 (0.60) TRPV1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1826907 0.79 S1PR1 (0.50) TRPV1NPC1
SCHEMBL30904868 0.77 GRM4 (0.60) GRM4NPC1RAB9ASMN1; SMN2MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO 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 (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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 GRM4 3582/4885TRPV1 795/4885NPC1 142/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 GRM4 3582/4885TRPV1 795/4885NPC1 142/4885

“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.