SCHEMBL414385

SCHEMBL414385

COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(-c2ccc(C#N)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.41
EP300 Q09472 7/20 0.40
ALPL P05186 1/20 0.39
FLT3 P36888 2/20 0.38
CREBBP Q92793 1/20 0.37
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL2480927 0.93 PLA2G7 (0.37) PLA2G7EP300ALPLFLT3CREBBP
SCHEMBL416691 0.92 PLA2G7 (0.46) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL413504 0.89 PLA2G7 (0.42) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL415358 0.89 PLA2G7 (0.42) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL418475 0.88 POLB (0.43) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL417189 0.86 PLA2G7 (0.47) PLA2G7
SCHEMBL2486787 0.83 PLA2G7 (0.39) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL416144 0.83 CDK9 (0.41) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL416101 0.82 POLB (0.43) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL2484979 0.79 PLA2G7 (0.41) PLA2G7CDK2CDK9HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 PLA2G7 3215/4885EP300 268/4885ALPL 4380/4885

“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.