SCHEMBL785090

SCHEMBL785090

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 3/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
WDR5 P61964 1/20 0.37
CCR5 P51681 1/20 0.36
SPTLC2 O15270 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
PDK2 Q15119 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
SCHEMBL785712 0.94 F10 (0.37) BDKRB1MEN1KMT2AF10CCR5
SCHEMBL784276 0.91 F10 (0.39) BDKRB1F10ALDH1A1ALOX15
SCHEMBL783957 0.90 TRPV1 (0.40) F10CCR5ALDH1A1ALOX15
SCHEMBL785855 0.89 JAK2 (0.40) PDK2
SCHEMBL784439 0.88 SLC6A9 (0.40) F10PDK2
SCHEMBL784909 0.88 F10 (0.37) F10CCR5ALDH1A1ALOX15PDK2
SCHEMBL784261 0.87 ALDH1A1 (0.43) BDKRB1MEN1KMT2AF10HPGD
SCHEMBL777867 0.87 ALDH1A1 (0.43) BDKRB1MEN1KMT2AF10HPGD
SCHEMBL784081 0.87 ALDH1A1 (0.43) BDKRB1MEN1KMT2AF10HPGD
SCHEMBL785504 0.87 F10 (0.37) F10CCR5ALDH1A1ALOX15

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 BDKRB1 1/4885MEN1 2563/4885KMT2A 2222/4885

“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.