SCHEMBL1712552

SCHEMBL1712552

CCOC(=O)c1ccc(NC(=O)C(c2c3c(nn2-c2ccc(Cl)cc2)CCCC3)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.52
MAPT P10636 8/20 0.45
TP53 P04637 3/20 0.45
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RY12 Q9H244 1/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
FAAH O00519 2/20 0.41
CRHBP P24387 1/20 0.41
RECQL P46063 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1712868 0.88 NR1H4 (0.50) NR1H4MAPTFAAH
SCHEMBL1712094 0.88 NR1H4 (0.55) NR1H4MAPTLMNAMEN1KMT2A
SCHEMBL2382230 0.85 NR1H4 (0.59) NR1H4MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1712368 0.85 NR1H4 (0.59) NR1H4MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1712601 0.84 NPC1 (0.43) NR1H4MAPTTP53GAASMN1; SMN2
SCHEMBL3246845 0.84 NR1H4 (0.53) NR1H4MAPTP2RY12ALDH1A1RAB9A
SCHEMBL2381862 0.83 NR1H4 (0.61) NR1H4MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL1712598 0.82 NR1H4 (0.53) NR1H4MAPTTP53NPSR1ALDH1A1
SCHEMBL11996505 0.82 NR1H4 (0.55) NR1H4MAPTP2RY12ALDH1A1RAB9A
SCHEMBL1712375 0.81 NR1H4 (0.56) NR1H4FAAH

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 1/4885MAPT 4378/4885TP53 3895/4885

“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.