SCHEMBL803513

SCHEMBL803513

COC(=O)c1ccc2c(c1)CC/C2=N/O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MAPT P10636 10/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SRD5A1 P18405 2/20 0.42
SRD5A2 P31213 2/20 0.42
PTPRC P08575 1/20 0.42
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 4/20 0.41

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
SCHEMBL1270477 0.91 L3MBTL1 (0.44) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL10247479 0.91 L3MBTL1 (0.44) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1270478 0.91 L3MBTL1 (0.44) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL803507 0.88 MAPK14 (0.44) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13131193 0.88 MAPK14 (0.44) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL16335642 0.84 BRAF (0.48) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL16335641 0.84 BRAF (0.48) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL14566596 0.81 MAPT (0.46) HTTMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13548832 0.81 MAPK14 (0.56) MAPTRAB9ASMN1; SMN2CA12CA1
SCHEMBL31532073 0.80 SRD5A1 (0.51) MAPTRAB9ASMN1; SMN2NPC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTT 2709/4885MAPT 3149/4885RAB9A 1673/4885

“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.