SCHEMBL784012

SCHEMBL784012

CN(C(=O)c1ccc2c(c1)C(NS(=O)(=O)Cc1ccccc1C(F)(F)F)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.36
PDK2 Q15119 1/20 0.36
RORC P51449 2/20 0.35
CCR5 P51681 1/20 0.35
EPHX2 P34913 3/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 2/20 0.33
SMO Q99835 2/20 0.33
SFRP1 Q8N474 1/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
PTK2 Q05397 1/20 0.32

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
SCHEMBL785628 0.89 F10 (0.37) F10PDK2RORCCCR5EPHX2
SCHEMBL785596 0.87 RORC (0.37) F10PDK2RORCCCR5EPHX2
SCHEMBL785209 0.86 F10 (0.37) F10RORCCCR5EPHX2KMT2A
SCHEMBL785267 0.85 F10 (0.37) F10PDK2RORCCCR5EPHX2
SCHEMBL2818056 0.84 CYP3A4 (0.47) KMT2ACYP2C9ALDH1A1
SCHEMBL784883 0.84 F10 (0.37) F10PDK2RORCKMT2ASFRP1
SCHEMBL784495 0.80 RORC (0.36) F10RORCEPHX2CYP2C9MMP2
SCHEMBL785538 0.79 EPHX2 (0.44) F10RORCEPHX2CYP2C9
SCHEMBL784439 0.79 SLC6A9 (0.40) F10PDK2RORCSMO
SCHEMBL784148 0.79 RORC (0.41) F10PDK2RORC

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 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 F10 524/4885PDK2 2401/4885RORC 4667/4885

“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.