SCHEMBL1712119

SCHEMBL1712119

COC(=O)c1ccc(SCC(c2c3c(nn2-c2ccc(Cl)cc2)CCCC3)C2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.57
TP53 P04637 2/20 0.37
MMP13 P45452 1/20 0.37
EPHX1 P07099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 2/20 0.35
HPGD P15428 2/20 0.35
PRLHR P49683 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2382413 0.98 NR1H4 (0.59) NR1H4TP53MMP13EPHX1L3MBTL1
SCHEMBL1712372 0.90 NR1H4 (0.62) NR1H4TP53EPHX1L3MBTL1KMT2A
SCHEMBL2381881 0.88 NR1H4 (0.65) NR1H4TP53L3MBTL1KMT2ACNR1
SCHEMBL1712395 0.85 NR1H4 (0.56) NR1H4TP53EPHX1KMT2ACNR1
SCHEMBL1712051 0.82 NR1H4 (0.64) NR1H4TP53PRLHRMAPTTHRB
SCHEMBL1712085 0.81 NR1H4 (0.82) NR1H4TP53CNR1CNR2HPGD
SCHEMBL2382276 0.81 NR1H4 (0.82) NR1H4TP53CNR1CNR2HPGD
SCHEMBL1712732 0.81 NR1H4 (0.50) NR1H4TP53EPHX1KMT2ACNR1
SCHEMBL2381623 0.81 NR1H4 (0.66) NR1H4TP53PRLHRMAPTTHRB
SCHEMBL2380217 0.80 NR1H4 (0.85) NR1H4CNR1CNR2FAAH

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 1/4885TP53 3895/4885MMP13 4683/4885

“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.