SCHEMBL948693

SCHEMBL948693

O=C(c1cnc2ccccn12)C(Cl)(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
EPHB3 P54753 1/20 0.55
ADORA2A P29274 3/20 0.47
GGPS1 O95749 1/20 0.43
FDPS P14324 1/20 0.43
MIF P14174 1/20 0.43
HAT1 O14929 2/20 0.43
EP300 Q09472 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC27A1 Q6PCB7 1/20 0.42
KIT P10721 1/20 0.41
DDR1 Q08345 1/20 0.41

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
SCHEMBL25562783 0.87 NPC1 (0.55) NPC1RAB9AEPHB3ADORA2AGGPS1
SCHEMBL14743372 0.81 NPC1 (0.63) NPC1RAB9AEPHB3ADORA2AGGPS1
SCHEMBL3549382 0.81 NPC1 (0.59) NPC1RAB9AEPHB3ADORA2AGGPS1
Hydrochloric Acid SCHEMBL14746375 0.80 NPC1 (0.61) NPC1RAB9AEPHB3ADORA2AGGPS1
SCHEMBL496758 0.80 NPC1 (0.60) NPC1RAB9AEPHB3ADORA2AGGPS1
Hydrochloric Acid SCHEMBL21834227 0.78 NPC1 (0.59) NPC1RAB9AEPHB3ADORA2AGGPS1
SCHEMBL2017759 0.78 NPC1 (0.59) NPC1RAB9AEPHB3ADORA2ANPSR1
SCHEMBL9913664 0.77 EPHB3 (0.62) NPC1RAB9AEPHB3ADORA2ASMN1; SMN2
SCHEMBL14707153 0.77 NPC1 (0.55) NPC1RAB9AEPHB3ADORA2AGGPS1
SCHEMBL2498113 0.77 NPC1 (0.55) NPC1RAB9AEPHB3ADORA2AHAT1

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 NPC1 2889/4885RAB9A 3665/4885EPHB3 2147/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 NPC1 2969/4885RAB9A 3699/4885EPHB3 2450/4885

“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.