SCHEMBL784390

SCHEMBL784390

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cc(F)ccc1Cl)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
ALDH1A1 P00352 3/20 0.39
F10 P00742 3/20 0.39
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
WDR5 P61964 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36
SLC2A1 P11166 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 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
SCHEMBL784904 0.95 F10 (0.40) CTSSF10TAS1R3TAS1R1WDR5
SCHEMBL784158 0.92 CTSS (0.42) CTSSALDH1A1TRPV1SLC2A1
SCHEMBL784227 0.91 ALDH1A1 (0.51) CTSSALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784203 0.91 ALDH1A1 (0.51) CTSSALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL784112 0.89 F10 (0.40) F10TAS1R3TAS1R1TAS1R2
SCHEMBL784449 0.88 F10 (0.43) CTSSF10WDR5
SCHEMBL784955 0.88 TAS1R3 (0.44) CTSSALDH1A1F10TAS1R3TAS1R1
SCHEMBL785238 0.87 JAK2 (0.41)
SCHEMBL784276 0.86 F10 (0.39) ALDH1A1F10
SCHEMBL783987 0.86 WDR5 (0.40) CTSSF10WDR5

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 CTSS 824/4885ALDH1A1 1267/4885F10 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.