SCHEMBL1483874

SCHEMBL1483874

O=C=Nc1ccc(Cl)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TRPA1 O75762 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL1661841 0.79 ABCB11 (0.38) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL31230877 0.79 ABCB11 (0.38) CYP3A4TDP1ALDH1A1HPGDGABRA1
SCHEMBL10071721 0.76 CYP3A4 (0.32) CYP3A4
SCHEMBL11849090 0.72 CYP3A4 (0.46) CYP3A4TDP1MAPK1ALDH1A1HPGD
SCHEMBL5970005 0.71 CYP3A4 (0.32) CYP3A4
SCHEMBL10517886 0.71 ALDH1A1 (0.39) CYP3A4TDP1ALDH1A1HPGD
SCHEMBL8691280 0.69 CYP3A4 (0.45) CYP3A4TDP1MAPK1ALDH1A1TRPA1
SCHEMBL11248787 0.65 MAPK1 (0.34) TDP1MAPK1TRPA1GABRA1GABRB2
SCHEMBL10316536 0.65 TDP1 (0.42) CYP3A4TDP1MAPK1ALDH1A1HPGD
SCHEMBL30111366 0.65 TDP1 (0.42) CYP3A4TDP1MAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2005-04-14 US disclosed
EP-1516876-A1 Mediators of hedgehog signalling pathways, compositions and uses related thereto Curis, Inc. (US) 2005-03-23 EP disclosed
EP-1216234-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2004-12-29 EP disclosed
US-6545005-B1 Quinazolone derivatives CURTIS, INC. 2003-04-08 US disclosed
WO-2001019800-A9 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2002-10-03 WO disclosed
EP-1216234-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO Curis, Inc. (US) 2002-06-26 EP disclosed
WO-2001019800-A2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS, INC. (US) 2001-03-22 WO disclosed
US-5710278-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1998-01-20 US disclosed
US-5641727-A Herbicidal 1-pyridyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-06-24 US disclosed
EP-0692482-A2 1-pyridyltetrazolinone derivatives NIHON BAYER AGROCHEM K.K. (JP) 1996-01-17 EP 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 CYP3A4 4880/4885TDP1 4528/4885MAPK1 1293/4885
US-20050080138-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 CYP3A4 4880/4885TDP1 4528/4885MAPK1 1293/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 CYP3A4 4880/4885TDP1 4528/4885MAPK1 1293/4885

“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.