SCHEMBL416101

SCHEMBL416101

COc1ccc(F)cc1CN(C)C(=O)CCCn1cc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CDK9 P50750 3/20 0.42
HDAC1 Q13547 3/20 0.42
CDK2 P24941 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 2/20 0.42
PLA2G7 Q13093 3/20 0.39
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.36

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 0.87 PLA2G7 (0.46) CDK9HDAC1CDK2HDAC6HDAC3
SCHEMBL418475 0.85 POLB (0.43) POLBCDK9HDAC1CDK2HDAC6
SCHEMBL415358 0.85 PLA2G7 (0.42) KMT2ACDK9HDAC1CDK2HDAC6
SCHEMBL413504 0.85 PLA2G7 (0.42) MEN1KMT2ACDK9HDAC1CDK2
SCHEMBL416144 0.84 CDK9 (0.41) MEN1KMT2ACDK9HDAC1CDK2
SCHEMBL414385 0.82 PLA2G7 (0.41) CDK9HDAC1CDK2HDAC6HDAC3
SCHEMBL417189 0.81 PLA2G7 (0.47) POLBKMT2APLA2G7
SCHEMBL2486787 0.79 PLA2G7 (0.39) KMT2ACDK9HDAC1CDK2HDAC6
SCHEMBL416548 0.78 PLA2G7 (0.42) PLA2G7BCHEACHECHRM2CHRM1
SCHEMBL415614 0.77 PLA2G7 (0.41) PLA2G7BCHEACHECHRM2CHRM1

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 3 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 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 POLB 444/4885MEN1 4868/4885KMT2A 2843/4885

“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.