SCHEMBL3337243

SCHEMBL3337243

O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3Cl)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.81
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GPR55 Q9Y2T6 1/20 0.58
AMY1A P0DUB6 2/20 0.54
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
MMP8 P22894 2/20 0.52
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
METAP1 P53582 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4497810 0.90 NPBWR1 (0.65) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL4487881 0.86 MMP2 (0.66) NPBWR1RAB9ANPC1KDM4EAMY1A
SCHEMBL4497816 0.85 NPBWR1 (0.74) NPBWR1RAB9ANPC1KDM4EAMY1A
SCHEMBL2250346 0.85 NPBWR1 (0.60) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL3202735 0.84 NPBWR1 (0.81) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL3334644 0.84 NPBWR1 (0.73) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL2689294 0.84 NPBWR1 (0.73) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL3190704 0.84 AMY1A (0.59) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL29568028 0.84 NPBWR1 (0.73) NPBWR1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL10579818 0.82 NPBWR1 (0.55) NPBWR1RAB9ANPC1ALDH1A1KDM4E

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 NPBWR1 560/4885RAB9A 687/4885NPC1 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.