SCHEMBL3334644

SCHEMBL3334644

O=[N+]([O-])c1ccc(-c2nc3ccccc3[nH]2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 13/20 0.73
MMP2 P08253 2/20 0.63
MMP9 P14780 2/20 0.63
MMP8 P22894 2/20 0.63
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
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
AMY1A P0DUB6 2/20 0.54
CASP3 P42574 1/20 0.52
MMP13 P45452 1/20 0.52
SENP8 Q96LD8 1/20 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
SCHEMBL29568028 0.90 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL2689294 0.90 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3337243 0.84 NPBWR1 (0.81) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4487886 0.84 NPBWR1 (0.76) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4487881 0.84 MMP2 (0.66) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL786614 0.84 GUSB (0.69) NPBWR1RAB9ANPC1KDM4EMAPT
SCHEMBL3836178 0.82 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL29886712 0.82 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4497810 0.79 NPBWR1 (0.65) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3336694 0.79 NPC1 (0.71) 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 560/4885MMP2 3944/4885MMP9 3377/4885

“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.