SCHEMBL2437673

SCHEMBL2437673

CC(CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.63
ROCK2 O75116 8/20 0.57
ROCK1 Q13464 8/20 0.57
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.48
STAT3 P40763 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
ELOVL1 Q9BW60 1/20 0.47
PARP1 P09874 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL2436404 0.90 CASR (0.59) CASRROCK2ROCK1MAPTMEN1
SCHEMBL2466739 0.88 CASR (0.70) CASRROCK2ROCK1MAPTHDAC1
SCHEMBL168485 0.86 CASR (0.68) CASRROCK2ROCK1MAPTMEN1
SCHEMBL2434872 0.85 CASR (0.67) CASRROCK2ROCK1MAPTHDAC1
SCHEMBL128180 0.84 CASR (0.66) CASRROCK2ROCK1MAPTMEN1
SCHEMBL3636579 0.83 ROCK2 (0.63) CASRROCK2ROCK1MAPTMEN1
SCHEMBL12329228 0.81 CASR (0.65) CASRROCK2ROCK1MAPTHDAC1
SCHEMBL2432117 0.81 CASR (0.62) CASR
SCHEMBL12329186 0.81 CASR (0.59) CASRROCK2ROCK1MAPTHDAC1
SCHEMBL2433485 0.80 CASR (0.60) CASRROCK2ROCK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP claimed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US claimed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO claimed
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 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 (1 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885ROCK2 3901/4885ROCK1 2381/4885

“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.