SCHEMBL1397407

SCHEMBL1397407

CC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
ROCK1 Q13464 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
HTR2C P28335 3/20 0.42
CNR1 P21554 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
CYP2D6 P10635 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP1 P09874 2/20 0.41
ADRA2C P18825 3/20 0.40

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
SCHEMBL3235999 0.78 KDM4E (0.58) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL3209237 0.78 NPC1 (0.56) KDM4EMEN1KMT2ATDP1LMNA
SCHEMBL28246680 0.75 TAAR1 (0.55) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL5206410 0.75 TAAR1 (0.51) KDM4EMEN1KMT2ATDP1ROCK1
Hydrochloric Acid SCHEMBL11847984 0.74 MEN1 (0.62) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL3917296 0.74 ROCK1 (0.60) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL3386391 0.74 ROCK1 (0.60) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL9958168 0.74 KDM4E (0.59) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL9957537 0.74 KDM4E (0.59) KDM4EMEN1KMT2ATDP1ROCK1
SCHEMBL2422761 0.73 TAAR1 (0.53) KDM4EMEN1KMT2ATDP1ROCK1

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 6 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
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
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 KDM4E 2335/4885MEN1 2263/4885KMT2A 2239/4885

“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.