SCHEMBL415358

SCHEMBL415358

COc1ccc(-c2cnn(CCCC(=O)N(C)Cc3cc(F)ccc3OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 5/20 0.42
KMT2A Q03164 1/20 0.40
PDK2 Q15119 1/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
TSPO P30536 2/20 0.37
TACR1 P25103 1/20 0.37
BCHE P06276 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL416691 0.95 PLA2G7 (0.46) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL2486787 0.93 PLA2G7 (0.39) PLA2G7KMT2APDK2CDK2CDK9
SCHEMBL413504 0.93 PLA2G7 (0.42) PLA2G7KMT2ACDK2CDK9HDAC1
SCHEMBL418475 0.91 POLB (0.43) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL414385 0.89 PLA2G7 (0.41) PLA2G7CDK2CDK9HDAC1HDAC6
SCHEMBL417189 0.89 PLA2G7 (0.47) PLA2G7KMT2ATACR1
SCHEMBL2484979 0.89 PLA2G7 (0.41) PLA2G7PDK2CDK2CDK9HDAC1
SCHEMBL416144 0.86 CDK9 (0.41) PLA2G7KMT2APDK2CDK2CDK9
SCHEMBL416101 0.85 POLB (0.43) PLA2G7KMT2ACDK2CDK9HDAC1
SCHEMBL414508 0.83 GABRP (0.40) PLA2G7KMT2AHDAC1HDAC6HDAC3

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 3215/4885KMT2A 2843/4885PDK2 1904/4885

“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.