SCHEMBL784150

SCHEMBL784150

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.40
KDM4D Q6B0I6 1/20 0.39
F10 P00742 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SPTLC2 O15270 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL784113 1.00 BDKRB1 (0.40) BDKRB1KDM4DF10MEN1KMT2A
SCHEMBL785798 0.95 F10 (0.38) BDKRB1F10MEN1KMT2AROCK2
SCHEMBL785047 0.95 BDKRB1 (0.41) BDKRB1KDM4DF10MEN1KMT2A
SCHEMBL785292 0.91 F10 (0.39) BDKRB1F10ROCK2
SCHEMBL27902576 0.89 SMO (0.39) F10ROCK2
SCHEMBL785887 0.89 TRPV1 (0.42) F10
SCHEMBL785833 0.89 JAK2 (0.40) F10
SCHEMBL785312 0.89 P2RX7 (0.39) F10ROCK2
SCHEMBL784693 0.88 F10 (0.38) BDKRB1F10ROCK2
SCHEMBL785478 0.87 BDKRB1 (0.40) BDKRB1KDM4DF10MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KDM4D 1153/4885F10 524/4885

“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.