SCHEMBL784381

SCHEMBL784381

CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
F10 P00742 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR5 P51681 1/20 0.36
ROCK2 O75116 2/20 0.35
POLB P06746 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
KDM6B O15054 1/20 0.34
GBA1 P04062 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL785450 0.88 F10 (0.39) NPC1RAB9AF10CCR5ROCK2
SCHEMBL785915 0.87 F10 (0.39) NPC1RAB9AF10CCR5ROCK2
SCHEMBL785435 0.87 F10 (0.39) NPC1RAB9AF10ALDH1A1CCR5
SCHEMBL784595 0.87 ALDH1A1 (0.38) F10ALDH1A1MAPK1KMT2ACCR5
SCHEMBL784756 0.86 F10 (0.40) NPC1RAB9AF10MAPK1CCR5
SCHEMBL785778 0.86 TAOK3 (0.40) F10ALDH1A1MAPK1KMT2ACCR5
SCHEMBL784197 0.86 NPC1 (0.43) NPC1RAB9AF10ALDH1A1CCR5
SCHEMBL784558 0.85 ALDH1A1 (0.38) F10ALDH1A1MAPK1KMT2ACCR5
SCHEMBL785183 0.85 F10 (0.39) NPC1RAB9AF10CCR5ROCK2
SCHEMBL785524 0.84 ALDH1A1 (0.37) F10ALDH1A1MAPK1KMT2ACCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 2033/4885RAB9A 1673/4885F10 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.