SCHEMBL784449

SCHEMBL784449

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(Cl)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.43
CNR1 P21554 1/20 0.37
WDR5 P61964 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY5R Q15761 1/20 0.36
CTSS P25774 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL784904 0.93 F10 (0.40) F10WDR5NPY5RCTSS
SCHEMBL784081 0.91 ALDH1A1 (0.43) F10MEN1KMT2ACTSS
SCHEMBL784261 0.91 ALDH1A1 (0.43) F10MEN1KMT2ACTSS
SCHEMBL777867 0.91 ALDH1A1 (0.43) F10MEN1KMT2ACTSS
SCHEMBL785238 0.91 JAK2 (0.41) JAK2JAK1TYK2
SCHEMBL784715 0.90 F10 (0.40) F10CNR1WDR5MEN1KMT2A
SCHEMBL784935 0.90 F10 (0.43) F10CNR1WDR5CTSS
SCHEMBL784390 0.88 CTSS (0.42) F10WDR5CTSS
SCHEMBL785754 0.88 ALDH1A1 (0.43) WDR5MEN1KMT2ACTSS
SCHEMBL785705 0.88 TAS1R3 (0.41) F10WDR5MEN1KMT2ACTSS

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 524/4885CNR1 16/4885WDR5 2611/4885

“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.