SCHEMBL1712358

SCHEMBL1712358

O=C(O)c1ccc(NC(=O)C(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
HTR1E P28566 2/20 0.43
S1PR3 Q99500 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
ABCB1 P08183 2/20 0.40
MAPK14 Q16539 1/20 0.40
PTGER4 P35408 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
MERTK Q12866 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL1712601 0.88 NPC1 (0.43) NR1H4MEN1MAPTKMT2APOLB
SCHEMBL1712362 0.87 NR1H4 (0.53) NR1H4CYP3A4CYP2D6CYP2C9
SCHEMBL2349507 0.85 NR1H4 (0.49) NR1H4CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL1712136 0.84 ADORA3 (0.44) NR1H4CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL1712094 0.82 NR1H4 (0.55) NR1H4CYP3A4CYP2D6CYP2C9HTR1E
SCHEMBL1712590 0.81 NR1H4 (0.46) NR1H4CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL1712592 0.81 NR1H4 (0.46) NR1H4CYP3A4CYP2D6CYP2C9MEN1
SCHEMBL2346833 0.79 TSHR (0.46) NR1H4CYP3A4MEN1KMT2ALMNA
SCHEMBL12394116 0.78 NR1H4 (0.43) NR1H4PTGER4ADORA3
SCHEMBL1712510 0.77 NR1H4 (0.44) NR1H4CYP3A4CYP2D6CYP2C9MAPT

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 13 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 claimed
US-8008505-B2 Indazole or 4,5,6,7-tetrahydro-indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US claimed
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 claimed
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 claimed
US-20100076027-A1 INDAZOLE OR 4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-03-25 US claimed
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
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
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
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 1/4885CYP3A4 36/4885CYP2D6 129/4885

“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.