SCHEMBL3736841

SCHEMBL3736841

O=[N+]([O-])Nc1ccnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.49
SMARCA4 P51532 8/20 0.49
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
GRM4 Q14833 1/20 0.38
RECQL P46063 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TRPA1 O75762 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5488197 0.90 SMARCA2 (0.42) SMARCA2SMARCA4CHRNB2CHRNA4GRM4
SCHEMBL4309817 0.90 SMARCA2 (0.42) SMARCA2SMARCA4CHRNB2CHRNA4GRM4
SCHEMBL562935 0.78 S1PR2 (0.47) SMARCA2SMARCA4CHRNB2CHRNA4SMN1; SMN2
SCHEMBL6399598 0.74 CTSD (0.48) SMN1; SMN2CYP3A4ALOX15MAPK1PPARG
SCHEMBL1460401 0.74 ROCK1 (0.58) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL3133040 0.73 KDM4E (0.50) SMN1; SMN2KDM4EMEN1LMNAMAPT
SCHEMBL7078201 0.73 MAPT (0.49) MAPK1MEN1LMNAMAPTHTT
SCHEMBL30648816 0.72 HSD17B10 (0.50) CYP3A4LMNAKMT2ATDP1
SCHEMBL6201889 0.72 HSD17B10 (0.50) CYP3A4KDM4EMEN1LMNAMAPT
SCHEMBL7359879 0.72 ALDH1A1 (0.43) MEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1807074-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2013-10-23 EP disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 US disclosed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-8168653-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2012-05-01 US disclosed
US-8168653-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2012-05-01 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
EP-2017277-A1 Thiophene-imidazopyridines 4SC AG (DE) 2009-01-21 EP 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
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
WO-2007047793-A2 CYCLOPENTENOL NUCLEOSIDE COMPOUNDS, INTERMEDIATES FOR THEIR SYNTHESIS AND METHODS OF TREATING VIRAL INFECTIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-04-26 WO disclosed
CN-1694889-A Phenyl-aza-benzimidazole compounds for modulating ige and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2005-11-09 CN disclosed
US-20040116466-A1 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-06-17 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 (3 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-20100317660-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 SMARCA2 1967/4885SMARCA4 1957/4885CHRNB2 1844/4885
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 SMARCA2 1204/4885SMARCA4 1368/4885CHRNB2 2848/4885
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO SHH, SMO, GLI1 SMARCA2 1969/4885SMARCA4 1946/4885CHRNB2 2129/4885

“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.