SCHEMBL1712425

SCHEMBL1712425

N#Cc1ccc(OCC(c2c3cc(F)c(F)cc3nn2-c2ccc(Cl)cc2)C2CCCCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.50
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
MDM2 Q00987 1/20 0.32
KDM1A O60341 2/20 0.32
TP53 P04637 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
ICMT O60725 1/20 0.31
SLC6A9 P48067 1/20 0.31
GPR6 P46095 1/20 0.31
PDE5A O76074 1/20 0.31

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
SCHEMBL1712306 0.91 NR1H4 (0.49) NR1H4HTR2AHTR2CSLC6A4MDM2
SCHEMBL1712494 0.86 NR1H4 (0.37) NR1H4SLC6A4MDM2KDM1ATP53
SCHEMBL2381699 0.85 NR1H4 (0.69) NR1H4HTR2AHTR2CSLC6A4MDM2
SCHEMBL1712446 0.85 NR1H4 (0.69) NR1H4HTR2AHTR2CSLC6A4MDM2
SCHEMBL2382373 0.85 NR1H4 (0.67) NR1H4HTR2AHTR2CSLC6A4MDM2
SCHEMBL1712364 0.82 NR1H4 (0.34) NR1H4HTR2AHTR2CSLC6A4MDM2
SCHEMBL12394132 0.81 NR1H4 (0.57) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1712047 0.81 NR1H4 (0.75) NR1H4MDM2CYP3A4CYP2D6CYP2C9
SCHEMBL12394138 0.80 NR1H4 (0.37) NR1H4HTR2AHTR2CSLC6A4MDM2
SCHEMBL1712308 0.78 NR1H4 (0.43) NR1H4HTR2AHTR2CSLC6A4CYP3A4

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 1/4885HTR2A 1960/4885HTR2C 534/4885

“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.