SCHEMBL417189

SCHEMBL417189

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 7/20 0.47
NLRP3 Q96P20 2/20 0.39
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.38
KMT2A Q03164 1/20 0.37
AGTR1 P30556 1/20 0.37
CCR3 P51677 1/20 0.37
JAK2 O60674 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 0.94 PLA2G7 (0.46) PLA2G7TACR1AGTR1
SCHEMBL2484979 0.90 PLA2G7 (0.41) PLA2G7NLRP3POLB
SCHEMBL2485770 0.89 PLA2G7 (0.41) PLA2G7POLBTACR1KMT2AAGTR1
SCHEMBL415358 0.89 PLA2G7 (0.42) PLA2G7TACR1KMT2A
SCHEMBL413504 0.89 PLA2G7 (0.42) PLA2G7TACR1KMT2AAGTR1JAK2
SCHEMBL418475 0.87 POLB (0.43) PLA2G7POLBTACR1
SCHEMBL414385 0.86 PLA2G7 (0.41) PLA2G7
SCHEMBL2486787 0.83 PLA2G7 (0.39) PLA2G7KMT2A
SCHEMBL416144 0.83 CDK9 (0.41) PLA2G7NLRP3TACR1KMT2A
SCHEMBL416101 0.81 POLB (0.43) PLA2G7POLBKMT2A

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 3215/4885NLRP3 656/4885POLB 444/4885

“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.