SCHEMBL1920649

SCHEMBL1920649

COc1ccc2cc(C#Cc3ccccc3Cl)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2A6 P11509 1/20 0.49
ACACB O00763 2/20 0.44
GRM5 P41594 3/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 1/20 0.40
NQO1 P15559 1/20 0.39
RELA Q04206 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL1921623 0.85 APP (0.52) ACACBGRM5KCNH2FFAR1RELA
SCHEMBL30521889 0.82 NQO1 (0.49) CYP1A2CYP2A6ACACBGRM5NQO1
SCHEMBL17086882 0.80 CYP1A2 (0.59) CYP1A2CYP2A6GRM5KCNH2FFAR1
SCHEMBL9743076 0.78 APP (0.59) CYP1A2CYP2A6GRM5KCNH2NQO1
SCHEMBL17086858 0.78 CYP1A2 (0.60) CYP1A2CYP2A6GRM5KCNH2FFAR1
SCHEMBL1921687 0.76 ACACB (0.53) CYP1A2CYP2A6ACACBKCNH2FFAR1
SCHEMBL1923029 0.76 ACACB (0.52) CYP1A2CYP2A6ACACBKCNH2FFAR1
SCHEMBL28291457 0.75 CYP1A2 (0.61) CYP1A2CYP2A6ACACBKCNH2NQO1
SCHEMBL9745451 0.74 ACHE (0.50) CYP1A2CYP2A6GRM5KCNH2NQO1
SCHEMBL9742321 0.74 APP (0.53) CYP1A2CYP2A6KCNH2NQO1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 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 (1 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-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 CYP1A2 20/4885CYP2A6 411/4885ACACB 2504/4885

“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.