SCHEMBL785099

SCHEMBL785099

Cc1ccc(F)c(C(=O)NC2CC(C)(C)c3ccc(C(=O)N(C)C4CCN(c5ccncc5)CC4)cc32)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 5/20 0.38
F10 P00742 10/20 0.37
SLC2A1 P11166 2/20 0.36
NPY5R Q15761 1/20 0.34
NSD2 O96028 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL785624 0.88 F10 (0.38) SETD2F10SLC2A1NPY5R
SCHEMBL784827 0.87 ROCK2 (0.37) F10NPY5RALDH1A1ALOX15
SCHEMBL785900 0.87 CTSS (0.40) SETD2F10SLC2A1
SCHEMBL785236 0.85 F10 (0.38) SETD2F10SLC2A1NPY5R
SCHEMBL784276 0.84 F10 (0.39) F10NPY5RALDH1A1ALOX15
SCHEMBL784148 0.83 RORC (0.41) F10
SCHEMBL484513 0.83 CYP3A4 (0.49) ALDH1A1
SCHEMBL785712 0.83 F10 (0.37) F10NPY5RALDH1A1ALOX15
SCHEMBL785791 0.83 ALDH1A1 (0.41) F10NPY5RALDH1A1ALOX15
SCHEMBL785090 0.83 BDKRB1 (0.40) F10ALDH1A1ALOX15

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 SETD2 2188/4885F10 524/4885SLC2A1 3842/4885

“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.