SCHEMBL785778

SCHEMBL785778

CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
CTSS P25774 1/20 0.40
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 3/20 0.39
DHODH Q02127 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
F10 P00742 2/20 0.37
CCR5 P51681 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 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
SCHEMBL784595 0.96 ALDH1A1 (0.38) TAOK3TAOK1CTSSDRD2ALDH1A1
SCHEMBL784558 0.90 ALDH1A1 (0.38) TAOK3TAOK1DRD2ALDH1A1MAPK1
SCHEMBL785579 0.89 TAOK3 (0.41) TAOK3TAOK1CTSSDRD2ALDH1A1
SCHEMBL785822 0.88 POLB (0.36) TAOK3TAOK1CTSSDRD2ALDH1A1
SCHEMBL785665 0.87 TAOK3 (0.41) TAOK3TAOK1CTSSDRD2ALDH1A1
SCHEMBL785080 0.87 TAOK3 (0.41) TAOK3TAOK1CTSSDRD2ALDH1A1
SCHEMBL784808 0.87 F10 (0.41) CTSSDRD2MAPK1KMT2APOLB
SCHEMBL785734 0.87 CTSS (0.44) TAOK3TAOK1CTSSALDH1A1MAPK1
SCHEMBL785524 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1KMT2APOLBF10
SCHEMBL784513 0.86 PRMT3 (0.38) CTSSALDH1A1MAPK1KMT2APOLB

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 TAOK3 2233/4885TAOK1 2714/4885CTSS 824/4885

“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.