SCHEMBL784459

SCHEMBL784459

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NS(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
F10 P00742 2/20 0.37
RORC P51449 1/20 0.36
SCN9A Q15858 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
F2 P00734 2/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
P2RY12 Q9H244 1/20 0.35
GPR142 Q7Z601 3/20 0.35
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL784733 0.88 GALR3 (0.40) GALR3KMT2ATSHRF10RORC
SCHEMBL784667 0.86 KMT2A (0.40) GALR3KMT2ATSHRF10RORC
SCHEMBL785538 0.86 EPHX2 (0.44) F10RORCTLR9TLR8TLR7
SCHEMBL784016 0.86 F10 (0.43) F10TLR9TLR8TLR7F2
SCHEMBL784122 0.85 F10 (0.38) KMT2AF10RORCMEN1TLR9
SCHEMBL27920389 0.82 EPHX2 (0.37) F10TLR9TLR8TLR7
SCHEMBL27920406 0.80 TLR9 (0.37) KMT2ATSHRMEN1ALDH1A1TLR9
SCHEMBL785707 0.80 F10 (0.39) KMT2AF10RORCMEN1ALDH1A1
SCHEMBL785585 0.79 F10 (0.42) F10RORCTLR9TLR8TLR7
SCHEMBL784928 0.79 TLR9 (0.43) F10TLR9TLR8TLR7

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 claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 GALR3 401/4885KMT2A 2222/4885TSHR 586/4885

“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.