SCHEMBL3333823

SCHEMBL3333823

O=[N+]([O-])c1ccc2[nH]c(-c3cccnc3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.81
MAPT P10636 7/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
STAT1 P42224 1/20 0.59
NPBWR1 P48145 7/20 0.59
LDHA P00338 1/20 0.58
EPHX2 P34913 1/20 0.58
HTT P42858 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PKN1 Q16512 1/20 0.57
PKN2 Q16513 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54

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
SCHEMBL2308775 0.85 NPBWR1 (0.79) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL30343723 0.84 NPC1 (0.80) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL28761269 0.84 RAB9A (0.80) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL14447534 0.84 NPC1 (0.80) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL5566197 0.82 NPC1 (0.78) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL986022 0.81 RAB9A (0.65) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL7386711 0.81 RAB9A (0.66) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL3335995 0.80 NPBWR1 (0.81) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL14447531 0.80 RAB9A (0.64) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL12470997 0.79 NPBWR1 (0.82) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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 5 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
WO-2008140239-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 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 RAB9A 687/4885MAPT 685/4885NPC1 223/4885

“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.