SCHEMBL1963977

SCHEMBL1963977

Cc1ccc(NC(=O)c2ccccc2N)cc1C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
FADS1 O60427 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.58
PTGS1 P23219 2/20 0.56
PKM P14618 2/20 0.56
FKBP5 Q13451 1/20 0.56
P2RX1 P51575 1/20 0.55
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54

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
SCHEMBL31424204 1.00 CYP1A2 (0.70) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL22025347 0.91 FADS1 (0.59) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL27758310 0.88 CYP1A2 (0.62) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL4968847 0.87 CYP1A2 (0.65) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL5666204 0.87 FADS1 (0.67) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL22065324 0.85 FADS1 (0.54) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL5900421 0.83 PTGS1 (0.63) CYP1A2NPC1RAB9ASMN1; SMN2FADS1
SCHEMBL17744848 0.83 PTGS1 (0.75) NPC1RAB9ASMN1; SMN2FADS1ALDH1A1
SCHEMBL13644359 0.83 CYP1A2 (1.00) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL259352 0.83 MEN1 (0.72) NPC1RAB9ASMN1; SMN2FADS1ALDH1A1

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-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2014-06-05 US disclosed
US-8552009-B2 Substituted pyrimido 4.5-d pyrimidin-4-one compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. 2013-10-08 US disclosed
US-20110144135-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES, INC. (US) 2011-06-16 US disclosed
US-7893260-B2 Substituted quinazolin-4-one compounds for antagonizing TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2011-02-22 US disclosed
US-20100152209-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES INC. (US) 2010-06-17 US disclosed
EP-1954283-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-08-13 EP disclosed
US-20070179164-A1 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2007-08-02 US disclosed
WO-2007056124-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2007-05-18 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 (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-20140155417-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 CYP1A2 3450/4885NPC1 1090/4885RAB9A 2695/4885
US-20100152209-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 CYP1A2 3450/4885NPC1 1090/4885RAB9A 2695/4885
US-20070179164-A1 Compounds for modulating TRPV3 function TRPV3, TRPV1, TRPV4 CYP1A2 3450/4885NPC1 1090/4885RAB9A 2695/4885
US-20110144135-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 CYP1A2 3450/4885NPC1 1090/4885RAB9A 2695/4885

“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.