SCHEMBL1921328

SCHEMBL1921328

FC(F)(F)c1ccc(C#Cc2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
FFAR1 O14842 2/20 0.48
GRM5 P41594 3/20 0.45
ACACB O00763 1/20 0.42
KCNH2 Q12809 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
KIF11 P52732 2/20 0.39
PTGES O14684 1/20 0.38
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
GRIN2B Q13224 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL28512662 0.80 ALDH1A1 (0.41) FFAR1ACACBALDH1A1TSHRKIF11
SCHEMBL1922380 0.79 PTGDR2 (0.50) PTGDR2FFAR1GRM5ACACBMRGPRX4
SCHEMBL30270435 0.79 ALDH1A1 (0.63) FFAR1ALDH1A1TSHRKIF11KMT2A
SCHEMBL28525723 0.79 KIF11 (0.52) FFAR1MRGPRX4ALDH1A1TSHRKIF11
SCHEMBL29001494 0.79 ALDH1A1 (0.40) FFAR1ALDH1A1TSHRKIF11PTGES
SCHEMBL1920654 0.78 FFAR1 (0.57) PTGDR2FFAR1GRM5KCNH2ALDH1A1
SCHEMBL2830955 0.78 ALDH1A1 (0.59) FFAR1GRM5ALDH1A1TSHRKIF11
SCHEMBL31279173 0.78 FFAR1 (0.57) PTGDR2FFAR1GRM5KCNH2ALDH1A1
SCHEMBL14998069 0.78 KIF11 (0.56) ALDH1A1TSHRKIF11
SCHEMBL16747679 0.78 KIF11 (0.56) ALDH1A1TSHRKIF11

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 PTGDR2 1691/4885FFAR1 4444/4885GRM5 4049/4885

“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.