SCHEMBL3216508

SCHEMBL3216508

CC(C)(C)c1csc(CNC(=O)Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.51
PDE5A O76074 1/20 0.50
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
CSNK1D P48730 1/20 0.47
MAPK8 P45983 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BACE1 P56817 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL1397539 0.79 ROCK1 (0.47) LMNAMEN1MAPTKMT2ATRPV1
SCHEMBL3211692 0.78 LMNA (0.55) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL3235987 0.77 BACE1 (0.60) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL3202382 0.76 LMNA (0.53) NPC1RAB9ALMNAPDE5AMEN1
SCHEMBL9849523 0.75 MEN1 (0.70) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL3209237 0.75 NPC1 (0.56) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL13753362 0.74 MEN1 (0.63) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL5176773 0.73 LMNA (0.62) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL5177697 0.72 BACE1 (0.57) NPC1RAB9ALMNAMEN1MAPT
SCHEMBL5176613 0.72 LMNA (0.61) NPC1RAB9ALMNAMEN1MAPT

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 NPC1 115/4885RAB9A 317/4885LMNA 1780/4885

“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.