SCHEMBL784362

SCHEMBL784362

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cncnc1)CC2(C)C)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
F10 P00742 5/20 0.36
ROCK2 O75116 2/20 0.35
CCR5 P51681 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
POLB P06746 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL785791 0.89 ALDH1A1 (0.41) ALDH1A1ALOX15F10ROCK2CCR5
SCHEMBL784500 0.87 ALDH1A1 (0.39) ALDH1A1ALOX15F10ROCK2CCR5
SCHEMBL784827 0.87 ROCK2 (0.37) ALDH1A1ALOX15F10ROCK2CCR5
SCHEMBL784342 0.86 CTSS (0.41) ALDH1A1F10ROCK2POLB
SCHEMBL784472 0.86 CTSS (0.41) ALDH1A1F10ROCK2POLB
SCHEMBL784626 0.86 RBP4 (0.36) ALDH1A1ALOX15F10ROCK2NPC1
SCHEMBL785090 0.85 BDKRB1 (0.40) ALDH1A1ALOX15F10CCR5PDK2
SCHEMBL785199 0.85 CTSS (0.47) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL784953 0.85 POLB (0.39) ALDH1A1ALOX15F10ROCK2CCR5
SCHEMBL785504 0.85 F10 (0.37) ALDH1A1ALOX15F10ROCK2CCR5

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 ALDH1A1 1267/4885ALOX15 2120/4885F10 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.