SCHEMBL2690716

SCHEMBL2690716

Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
GAA P10253 9/20 0.51
MAPT P10636 9/20 0.51
KDM4E B2RXH2 9/20 0.51
HPGD P15428 8/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HSD17B10 Q99714 5/20 0.51
TP53 P04637 4/20 0.51
NFKB1 P19838 2/20 0.51
APP P05067 1/20 0.51
SNCA P37840 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MCL1 Q07820 1/20 0.51
POLB P06746 5/20 0.47
BLM P54132 5/20 0.47

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
SCHEMBL15643361 0.89 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL31289554 0.85 NPBWR1 (0.52) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4497826 0.85 HPGD (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL62030 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL29567848 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL31289524 0.81 HDAC6 (0.54) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL13405888 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5761334 0.80 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL28973519 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL15558207 0.80 MAPT (0.46) ALDH1A1MEN1KMT2AGAAMAPT

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 22 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
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
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-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO CURIS, INC. (US) 2012-11-08 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
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 (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 ALDH1A1 3536/4885MEN1 1195/4885KMT2A 2823/4885
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 ALDH1A1 2356/4885MEN1 3027/4885KMT2A 367/4885
US-20120283258-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED HERETO SHH, SMO, GLI1 ALDH1A1 3795/4885MEN1 1166/4885KMT2A 2394/4885

“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.