SCHEMBL1147698

SCHEMBL1147698

O=C(NCC1CC1)c1cc(Cl)cc(Br)c1NC(=O)C1CC(OS(=O)(=O)c2ccccn2)=NN1c1ncccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
SLC6A9 P48067 1/20 0.36
KCNH2 Q12809 4/20 0.35
CXCR3 P49682 1/20 0.32
CHRM1 P11229 3/20 0.32
MALT1 Q9UDY8 4/20 0.32
KDM4E B2RXH2 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL1148400 0.92 MALT1 (0.37) P2RX7SLC6A9KCNH2CHRM1MALT1
SCHEMBL591114 0.91 P2RX7 (0.39) P2RX7KCNH2CHRM1MALT1ACACB
SCHEMBL1148499 0.90 P2RX7 (0.36) P2RX7KCNH2
SCHEMBL1148382 0.89 SLC6A9 (0.36) P2RX7SLC6A9KCNH2MALT1
SCHEMBL592002 0.89 P2RX7 (0.36) P2RX7KCNH2CHRM1MALT1
SCHEMBL1148683 0.89 SLC6A9 (0.40) P2RX7SLC6A9KCNH2CXCR3CHRM1
SCHEMBL1148353 0.88 F10 (0.35) P2RX7SLC6A9KCNH2
SCHEMBL1148239 0.88 P2RX7 (0.35) P2RX7KCNH2
SCHEMBL1148202 0.86 IDO1 (0.34) SLC6A9MALT1
SCHEMBL591394 0.86 P2RX7 (0.43) P2RX7KCNH2CHRM1MALT1

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
EP-2264021-B1 PROCESS FOR PRODUCING AN ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA (JP) 2013-06-26 EP disclosed
US-20110034696-A1 PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-02-10 US disclosed
EP-2264021-A1 PROCESS FOR PRODUCING AN ANTHRANILAMIDE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-12-22 EP 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-20110034696-A1 PROCESS FOR PRODUCING ANTHRANILAMIDE COMPOUND SQOR, NOX5, NOX3 P2RX7 3091/4885SLC6A9 3705/4885KCNH2 471/4885

“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.