SCHEMBL2643777

SCHEMBL2643777

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
IDO1 P14902 7/20 0.40
HTR6 P50406 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
NTRK1 P04629 3/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SSTR5 P35346 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 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
SCHEMBL2643501 0.84 KDM4E (0.48) HTR6KDM4EGAAMTNR1AMTNR1B
SCHEMBL29052011 0.83 HTT (0.61) HTTIDO1MTNR1AMTNR1BALDH1A1
SCHEMBL2642580 0.83 HTT (0.47) HTTIDO1KDM4ENTRK1RXRA
SCHEMBL2642679 0.83 HTT (0.50) HTTIDO1KDM4ENTRK1RXRA
SCHEMBL2643468 0.82 HTT (0.46) HTTIDO1KDM4ENTRK1RXRA
SCHEMBL2642785 0.82 HTT (0.46) HTTIDO1KDM4ENTRK1RXRA
SCHEMBL2642669 0.82 IDO1 (0.46) HTTIDO1KDM4EALDH1A1RXRA
SCHEMBL2643320 0.81 HTT (0.45) HTTIDO1KDM4EGAANTRK1
SCHEMBL29052319 0.78 HTT (0.66) HTTIDO1KDM4EALDH1A1
SCHEMBL29164506 0.77 HTT (0.61) HTTIDO1HTR6KDM4EMTNR1A

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
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP 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 (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-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK HTT 2902/4885IDO1 30/4885HTR6 275/4885

“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.