SCHEMBL1712295

SCHEMBL1712295

COC(=O)c1ccc(OCC(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.46
GABRA5 P31644 5/20 0.39
ADORA3 P0DMS8 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL1712063 0.91 NR1H4 (0.52) NR1H4GABRA5ADORA3CNR1GABRA1
SCHEMBL1712564 0.86 NR1H4 (0.62) NR1H4ADORA3CNR1CNR2KMT2A
SCHEMBL1712051 0.84 NR1H4 (0.64) NR1H4GABRA5GABRA1GABRA2MAPT
SCHEMBL2381623 0.84 NR1H4 (0.66) NR1H4GABRA5GABRA1GABRA2MAPT
SCHEMBL27823558 0.80 NR1H4 (0.47) NR1H4ADORA3CNR1CNR2GABRA1
SCHEMBL1712091 0.79 NR1H4 (0.73) NR1H4ADORA3CNR1CNR2GABRA1
SCHEMBL1712521 0.78 NR1H4 (0.44) NR1H4ADORA3CNR1CNR2MAPT
SCHEMBL1712511 0.78 DRD2 (0.40) NR1H4ADORA3CNR1CNR2MAPT
SCHEMBL1712562 0.76 ADORA3 (0.43) NR1H4ADORA3CNR1CNR2GABRA1
SCHEMBL1712415 0.76 NR1H4 (0.61) NR1H4CNR1CNR2

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-2344459-B1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES HOFFMANN LA ROCHE (CH) 2013-12-25 EP disclosed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
EP-2344459-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. Hoffmann-La Roche AG (CH) 2011-07-20 EP disclosed
WO-2010034649-A1 2,3-SUBSTITUTED INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLES AS FXR MODULATORS AGAINST DYSLIPIDEMIA AND RELATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 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-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES NR1H4, ABCB11, FXR1 NR1H4 1/4885GABRA5 781/4885ADORA3 35/4885

“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.