SCHEMBL2643501

SCHEMBL2643501

COc1ccc2c(C(=O)O)cn(C(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
SSTR5 P35346 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL2643777 0.84 HTT (0.44) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL2436442 0.81 LTB4R (0.53) ALDH1A1HPGDSMN1; SMN2
SCHEMBL1622103 0.81 MYC (0.42) KDM4EGAAALDH1A1RAB9ACA12
SCHEMBL5242703 0.81 ALDH1A1 (0.57) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL2706652 0.81 CA12 (0.41) GAAALDH1A1HSD17B10TSHRRAB9A
SCHEMBL2642568 0.81 CSNK2A1 (0.42) KDM4EGAAALDH1A1HSD17B10RAB9A
SCHEMBL2589296 0.80 SMN1; SMN2 (0.43) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL2643375 0.79 PTGDR2 (0.40) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL2642632 0.79 PTGDR2 (0.42) KDM4EGAAALDH1A1HSD17B10TSHR
SCHEMBL2643062 0.78 MCL1 (0.47) GAAHSD17B10TSHRRAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES BISSANTZ CATERINA 2010-10-07 US disclosed
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 US disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US 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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AVPR1A, AVPR2, AVPR1B KDM4E 2959/4885GAA 4794/4885ALDH1A1 850/4885
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK KDM4E 2630/4885GAA 864/4885ALDH1A1 1377/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B KDM4E 2959/4885GAA 4794/4885ALDH1A1 850/4885

“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.