SCHEMBL2689294

SCHEMBL2689294

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 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 1.00 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3334644 0.90 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3337243 0.84 NPBWR1 (0.81) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL29886712 0.84 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3836178 0.84 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4487886 0.84 NPBWR1 (0.76) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4487881 0.84 MMP2 (0.66) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL31154156 0.84 NPBWR1 (0.58) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL15557498 0.83 NPBWR1 (0.60) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL2692857 0.81 NPBWR1 (0.55) NPBWR1MMP2MMP9MMP8RAB9A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039983-B Preparation method and application of antibacterial drug 赵洁 2022-04-15 CN disclosed
EP-2875005-B1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS INC (CN) 2020-11-11 EP disclosed
CN-108239068-B Nicotinamide derivative and preparation method and application thereof 沈阳药科大学 2020-09-08 CN disclosed
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
CN-111039983-A Preparation method and application of antibacterial drug 赵洁 2020-04-21 CN disclosed
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-8815895-B2 Mediators of hedgehog signaling pathways, compositions and uses related hereto CURIS, INC. (US) 2014-08-26 US disclosed
US-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto GUICHERIT OIVIN M 2010-12-16 US disclosed
US-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto GUICHERIT OIVIN M 2010-12-16 US disclosed
US-7816369-B2 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2010-10-19 US disclosed
US-7816369-B2 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2010-10-19 US disclosed
US-7816369-B2 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2010-10-19 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents CURIS, INC. (US) 2009-01-08 US disclosed
EP-1807074-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2007-07-18 EP disclosed
WO-2006050506-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2006-05-11 WO 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 (4 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO NPBWR1 2440/4885MMP2 3612/4885MMP9 4234/4885
US-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 NPBWR1 1081/4885MMP2 3325/4885MMP9 3132/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO NPBWR1 2440/4885MMP2 3612/4885MMP9 4234/4885
US-20090012082-A1 hedgehog genes antagonists such as N-[5-(1H-benzimidazol-2-yl)-6-chloropyridin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide, used as anticarcinogenic or antitumor agents GLI1, SHH, SMO NPBWR1 1850/4885MMP2 4148/4885MMP9 4001/4885

“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.