SCHEMBL785504

SCHEMBL785504

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1sccc1Cl)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.37
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
ITK Q08881 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ROCK2 O75116 1/20 0.33
NPY5R Q15761 2/20 0.33
CCR5 P51681 1/20 0.33
PRKDC P78527 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
SCHEMBL785753 0.88 F10 (0.38) F10ITKUSP30ROCK2
SCHEMBL785090 0.87 BDKRB1 (0.40) F10ALDH1A1ALOX15CCR5
SCHEMBL785314 0.86 CTSS (0.44) F10ALDH1A1ITK
SCHEMBL785712 0.85 F10 (0.37) F10ALDH1A1ALOX15ROCK2NPY5R
SCHEMBL784276 0.85 F10 (0.39) F10ALDH1A1ALOX15NPY5R
SCHEMBL785791 0.85 ALDH1A1 (0.41) F10ALDH1A1ALOX15ROCK2NPY5R
SCHEMBL784362 0.85 ALDH1A1 (0.38) F10ALDH1A1ALOX15USP30ROCK2
SCHEMBL785127 0.84 F10 (0.38) F10ITKUSP30ROCK2NPY5R
SCHEMBL784379 0.84 F10 (0.38) F10ITKUSP30ROCK2PRKDC
SCHEMBL784500 0.84 ALDH1A1 (0.39) F10ALDH1A1ALOX15ROCK2NPY5R

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
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-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 524/4885ALDH1A1 1267/4885ALOX15 2120/4885

“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.