SCHEMBL6312698

SCHEMBL6312698

CC([NH])COc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
TSHR P16473 2/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL370672 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL29582472 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL29359016 0.81 LMNA (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL27926709 0.81 LMNA (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL6312703 0.81 SCN4A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL19597584 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL28219649 0.76 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL31375650 0.74 MCHR1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL31610805 0.74 MCHR1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4728794 0.74 KDM4E (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR NPC1 2833/4885RAB9A 4571/4885SMN1; SMN2 4132/4885

“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.