SCHEMBL4407236

SCHEMBL4407236

CC(=O)Nc1ccc(C(=N)NO)cc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PYGL P06737 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGFR P43088 1/20 0.40
CNR2 P34972 1/20 0.40
BRD4 O60885 5/20 0.39
RECQL P46063 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL17681776 0.85 ALDH1A1 (0.48) HDAC1HDAC6PYGLALDH1A1PTGFR
SCHEMBL17681606 0.82 ALDH1A1 (0.55) HDAC1PYGLALDH1A1CNR2BRD4
SCHEMBL19459415 0.80 BRD4 (0.59) HDAC1HDAC6PYGLALDH1A1PTGFR
SCHEMBL4395273 0.80 HDAC1 (0.48) HDAC1HDAC6PTGFRCYP1A2CYP2C9
SCHEMBL3503509 0.79 ALDH1A1 (0.50) HDAC1HDAC6ALDH1A1PTGFRCNR2
SCHEMBL17681670 0.77 PYGL (0.48) HDAC1HDAC6PYGLALDH1A1CNR2
SCHEMBL17681651 0.77 EPHX1 (0.50) ALDH1A1CNR2RECQLCYP1A2CYP2C9
SCHEMBL17681585 0.76 ALDH1A1 (0.45) HDAC1HDAC6PYGLALDH1A1CNR2
SCHEMBL17681667 0.76 CNR2 (0.62) PYGLALDH1A1CNR2RECQLCYP1A2
SCHEMBL4394549 0.75 HDAC1 (0.55) HDAC1HDAC6ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed
US-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-25 US disclosed
US-7138414-B2 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
EP-1523475-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 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-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SLC5A2, CYP1A2, HBB HDAC1 4078/4885HDAC6 2569/4885PYGL 1277/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 HDAC1 3694/4885HDAC6 2600/4885PYGL 1449/4885

“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.