SCHEMBL3836178

SCHEMBL3836178

Cc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.73
MMP2 P08253 4/20 0.63
MMP9 P14780 4/20 0.63
MMP8 P22894 4/20 0.63
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 4/20 0.58
ALDH1A1 P00352 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 6/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MMP13 P45452 3/20 0.52
CASP3 P42574 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
SCHEMBL29886712 1.00 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3202735 0.84 NPBWR1 (0.81) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3202749 0.84 NPBWR1 (1.00) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL29568028 0.84 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL2689294 0.84 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4487881 0.84 MMP2 (0.66) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4487886 0.84 NPBWR1 (0.76) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL3334644 0.82 NPBWR1 (0.73) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4497810 0.79 NPBWR1 (0.65) NPBWR1MMP2MMP9MMP8RAB9A
SCHEMBL4117255 0.79 NPC1 (0.71) RAB9ANPC1SMN1; SMN2HTTALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 US disclosed
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 US disclosed
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 US disclosed
US-20130190350-A1 Mediators of Hedgehog Signaling Pathways, Compositions and Uses Related Thereto CURIS, INC. (US) 2013-07-25 US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 US disclosed
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 EP disclosed
EP-1482928-A4 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2005-10-12 EP disclosed
US-20050085519-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. 2005-04-21 US disclosed
EP-1482928-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2004-12-08 EP disclosed
WO-2003011219-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2003-02-13 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 (2 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-20050085519-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 NPBWR1 1375/4885MMP2 3800/4885MMP9 3797/4885
US-20130190350-A1 Mediators of Hedgehog Signaling Pathways, Compositions and Uses Related Thereto SHH, SMO, GLI1 NPBWR1 1548/4885MMP2 3722/4885MMP9 3682/4885

“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.