SCHEMBL3205172

SCHEMBL3205172

CC1CCc2cc(C(=O)NCCc3ccc(Cl)c(Cl)c3)sc2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 7/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 5/20 0.46
LIPG Q9Y5X9 1/20 0.44
PRNP P04156 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 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
SCHEMBL3211372 0.92 ALDH1A1 (0.62) LMNAALDH1A1RAB9ANPC1MAPT
SCHEMBL3208865 0.88 RAB9A (0.50) LMNAALDH1A1RAB9ANPC1MAPT
SCHEMBL3208516 0.85 TRPV1 (0.45) LMNAALDH1A1RAB9ANPC1MAPT
SCHEMBL3211093 0.82 RAB9A (0.57) LMNAALDH1A1RAB9ANPC1LIPG
SCHEMBL3201412 0.80 LIPG (0.44) ALDH1A1RAB9ANPC1MAPTLIPG
SCHEMBL3194445 0.78 LIPG (0.44) LMNAALDH1A1RAB9ANPC1MAPT
SCHEMBL1397548 0.78 SIGMAR1 (0.41) CYP1A2CYP2C9CYP2C19
SCHEMBL1397593 0.69 ALDH1A1 (0.42) LMNAALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1397374 0.69 ALDH1A1 (0.56) LMNAALDH1A1RAB9ANPC1MAPT
SCHEMBL1397414 0.69 NAMPT (0.67) RAB9ATRPV1MEN1KMT2APOLB

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
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US claimed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 LMNA 1780/4885ALDH1A1 1248/4885RAB9A 317/4885

“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.