SCHEMBL784558

SCHEMBL784558

CN(C(=O)c1ccc2c(c1)CCC2NC(=O)CCC1CCCC1)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 3/20 0.38
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.36
MCHR1 Q99705 2/20 0.35
TAOK3 Q9H2K8 2/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
DRD2 P14416 1/20 0.35
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34

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 0.94 ALDH1A1 (0.38) ALDH1A1MAPK1KMT2AF10CCR5
SCHEMBL785778 0.90 TAOK3 (0.40) ALDH1A1MAPK1KMT2AF10CCR5
SCHEMBL785305 0.86 ROCK2 (0.39) F10CCR5ROCK2MCHR1TAOK3
SCHEMBL785013 0.86 ROCK2 (0.39) F10CCR5ROCK2MCHR1TAOK3
SCHEMBL784381 0.85 NPC1 (0.38) ALDH1A1MAPK1KMT2AF10CCR5
SCHEMBL785822 0.85 POLB (0.36) ALDH1A1KMT2APOLBMCHR1TAOK3
SCHEMBL784857 0.85 CA12 (0.46) ALDH1A1F10CCR5POLBROCK2
SCHEMBL784808 0.84 F10 (0.41) MAPK1KMT2AF10POLBDRD2
SCHEMBL785524 0.84 ALDH1A1 (0.37) ALDH1A1MAPK1KMT2AF10CCR5
SCHEMBL784513 0.84 PRMT3 (0.38) ALDH1A1MAPK1KMT2AF10POLB

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 5 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 ALDH1A1 1267/4885MAPK1 1137/4885KMT2A 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.