SCHEMBL1712364

SCHEMBL1712364

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.34
SLC6A4 P31645 6/20 0.34
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
KDM1A O60341 2/20 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
PGGT1B P53609 1/20 0.31
PDE5A O76074 1/20 0.31
MDM2 Q00987 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PRLHR P49683 1/20 0.30
CXCR3 P49682 1/20 0.30

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
SCHEMBL1712643 0.91 ADORA3 (0.35) NR1H4SLC6A4HTR2AHTR2CFNTA
SCHEMBL12394138 0.90 NR1H4 (0.37) NR1H4SLC6A4HTR2AHTR2CKDM1A
SCHEMBL1712494 0.86 NR1H4 (0.37) NR1H4SLC6A4KDM1ACYP3A4CYP2D6
SCHEMBL1712425 0.82 NR1H4 (0.50) NR1H4SLC6A4HTR2AHTR2CKDM1A
SCHEMBL1712265 0.81 NR1H4 (0.55) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL12394133 0.81 NR1H4 (0.41) NR1H4SLC6A4HTR2AHTR2CCYP3A4
SCHEMBL12394125 0.78 NR1H4 (0.45) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL12394135 0.77 ABCB1 (0.40) NR1H4SLC6A4KDM1AKCNH2
SCHEMBL1712210 0.75 FAAH (0.41) NR1H4CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL1712466 0.75 NR1H4 (0.55) NR1H4CYP3A4CYP2D6CYP2C9CXCR3

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 1/4885SLC6A4 498/4885HTR2A 1960/4885

“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.