SCHEMBL3202382

SCHEMBL3202382

CC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CSNK1D P48730 1/20 0.48
PDE5A O76074 1/20 0.47
DGAT2 Q96PD7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE1 P56817 1/20 0.46
MAPK8 P45983 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
MLYCD O95822 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
HDAC1 Q13547 2/20 0.44
ANO1 Q5XXA6 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL3235987 0.83 BACE1 (0.60) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3211692 0.80 LMNA (0.55) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL5176773 0.79 LMNA (0.62) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL1397552 0.78 ROCK1 (0.52) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL3576786 0.78 P2RX7 (0.50) LMNA
SCHEMBL5175426 0.78 LMNA (0.78) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL9849523 0.77 MEN1 (0.70) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3209237 0.76 NPC1 (0.56) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL3216508 0.76 NPC1 (0.53) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL5177697 0.76 BACE1 (0.57) LMNANPC1RAB9AMEN1KMT2A

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 1780/4885NPC1 115/4885RAB9A 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.