SCHEMBL643747

SCHEMBL643747

O=C(COc1ccccc1)Nc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 3/20 1.00
TP53 P04637 1/20 1.00
ALOX12 P18054 1/20 1.00
MAPT P10636 5/20 0.81
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
HTT P42858 1/20 0.58

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
SCHEMBL14769346 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL16756346 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL8540574 0.81 CYP3A4 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6532397 0.80 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7933620 0.80 ALDH1A1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL11700474 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL11584604 0.79 ALDH1A1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL5492363 0.79 RAB9A (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL11167021 0.79 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL29500234 0.79 ALDH1A1 (0.69) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119675-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100016372-A1 Benzimidazole Derivatives MERCK PATENT GMBH (DE) 2010-01-21 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-20100016372-A1 Benzimidazole Derivatives GPR119, GLP1R, H1-3 NPC1 2647/4885RAB9A 484/4885SMN1; SMN2 3190/4885

“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.