SCHEMBL13181703

SCHEMBL13181703

NC(=O)[C@@H](NCl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PDGFRA P16234 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
AURKB Q96GD4 1/20 0.45
CSNK1G1 Q9HCP0 1/20 0.45
CTSD P07339 1/20 0.45
BCAT2 O15382 1/20 0.44
CYP2D6 P10635 2/20 0.43
SRC P12931 1/20 0.43
CYP2C19 P33261 1/20 0.43
TACR3 P29371 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL13711161 1.00 EPHX1 (0.46) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL10211041 1.00 EPHX1 (0.46) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL13447469 0.83 HDAC3 (0.47) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL8995847 0.83 HDAC3 (0.47) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL31023924 0.83 CTSD (0.50) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL18539179 0.83 CTSD (0.50) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL20581540 0.82 SRC (0.52) MAPK1CTSDCYP2D6SRCHDAC3
SCHEMBL4732145 0.81 LMNA (0.49) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL22502277 0.81 LMNA (0.49) EPHX1MAPK1CYP3A4CYP2C9PDGFRA
SCHEMBL12797154 0.81 LMNA (0.44) EPHX1MAPK1CYP3A4CYP2C9PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
EP-1301486-B1 IMIDAZOLIDINONES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2009-07-01 EP disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (6 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 EPHX1 1797/4885MAPK1 2860/4885CYP3A4 708/4885
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 EPHX1 2331/4885MAPK1 1820/4885CYP3A4 551/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 EPHX1 1797/4885MAPK1 2860/4885CYP3A4 708/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 EPHX1 2331/4885MAPK1 1820/4885CYP3A4 551/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 EPHX1 1797/4885MAPK1 2860/4885CYP3A4 708/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 EPHX1 2331/4885MAPK1 1820/4885CYP3A4 551/4885

“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.