SCHEMBL3335588

SCHEMBL3335588

Cc1ccc2[nH]c(-c3ccsc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
METAP1 P53582 2/20 0.46
METAP2 P50579 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
ALOX5 P09917 1/20 0.42
EPHX2 P34913 1/20 0.42
DHODH Q02127 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
CYP2A6 P11509 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
SCHEMBL14494924 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7574964 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1171203 0.80 NPC1 (0.51) NPC1RAB9AMETAP1METAP2SMN1; SMN2
SCHEMBL6124304 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3336231 0.78 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9030999 0.78 NPC1 (0.62) NPC1RAB9AMETAP1METAP2SMN1; SMN2
SCHEMBL6124301 0.76 NPC1 (0.71) NPC1RAB9AMETAP1METAP2SMN1; SMN2
SCHEMBL21087331 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29517680 0.76 CHEK2 (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL24347821 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 223/4885RAB9A 687/4885METAP1 672/4885

“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.