SCHEMBL3337335

SCHEMBL3337335

COc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 4/20 0.60
PKM P14618 4/20 0.60
HPGD P15428 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
TP53 P04637 4/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
HSD17B10 Q99714 2/20 0.57
TSHR P16473 1/20 0.57
SLC2A1 P11166 1/20 0.53
AMY1A P0DUB6 3/20 0.52
CHEK2 O96017 4/20 0.52

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
SCHEMBL23758272 0.91 NPC1 (0.64) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL17393373 0.87 SMN1; SMN2 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL6262977 0.85 NPC1 (0.79) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL2324292 0.85 NPC1 (0.78) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL419326 0.84 NPC1 (0.71) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL1170729 0.84 ALDH1A1 (0.57) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL17255208 0.84 RAB9A (0.59) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL30108052 0.84 ALDH1A1 (0.58) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL21705378 0.83 HDAC6 (0.61) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL31027945 0.83 HDAC6 (0.61) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E

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-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 NPC1 223/4885SMN1; SMN2 1895/4885RAB9A 687/4885

“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.