SCHEMBL16688175

SCHEMBL16688175

Cc1cc(C2=NOC(C)(c3cc(Cl)cc(Cl)c3)C2)ccc1C(=O)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSP90AA1 P07900 1/20 0.35
SRC P12931 1/20 0.35
BRD9 Q9H8M2 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ABL1 P00519 1/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL16688159 0.87 PKM (0.37) KDM4ECA1CA2RECQL
SCHEMBL16688160 0.86 KDM4E (0.37) KDM4ECA1CA2RECQL
SCHEMBL18082523 0.86 PTGDR2 (0.38) KDM4ECA1CA2RECQL
SCHEMBL16689278 0.85 HRH4 (0.36) HRH4PIK3CAMTORSCN5ASCN2A
SCHEMBL16688161 0.85 POLB (0.43) RXFP1KDM4ETP53
SCHEMBL16688200 0.84 KDM4E (0.36) KDM4ECA1CA2RECQL
SCHEMBL16688227 0.84 RORC (0.40) PIK3CAMTORKDM4E
SCHEMBL16261603 0.83 KDM4E (0.41) KDM4ECA1CA2RECQL
SCHEMBL2010809 0.83 RECQL (0.44) KDM4ECA1CA2RECQL
SCHEMBL16688220 0.83 PKM (0.38) KDM4ECA1CA2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447084-B2 Antiparisitic and pesticidal isoxazoline compounds MERIAL, INC. (US) 2016-09-20 US disclosed
US-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS MERIAL LIMITED (US) 2015-05-07 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-20150126523-A1 ANTIPARISITIC AND PESTICIDAL ISOXAZOLINE COMPOUNDS ACHE, PRDX1, CHRM1 HRH4 449/4885PIK3CA 2248/4885MTOR 4519/4885

“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.