SCHEMBL2431978

SCHEMBL2431978

CN(CCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.62
ROCK2 O75116 5/20 0.52
ROCK1 Q13464 5/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 3/20 0.45
ELOVL1 Q9BW60 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL168485 0.87 CASR (0.68) CASRROCK2ROCK1MAPTRAB9A
SCHEMBL2431972 0.84 CASR (0.62) CASRROCK2ROCK1LMNAMAPT
SCHEMBL128180 0.83 CASR (0.66) CASRROCK2ROCK1MAPTRAB9A
SCHEMBL2429366 0.83 CASR (0.62) CASRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL2466739 0.83 CASR (0.70) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2317588 0.82 CASR (0.83) CASRNPC1
SCHEMBL3636579 0.81 ROCK2 (0.63) CASRROCK2ROCK1MAPTRAB9A
SCHEMBL2434872 0.80 CASR (0.67) CASRROCK2ROCK1LMNAMAPT
SCHEMBL2437673 0.79 CASR (0.63) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL128085 0.79 CASR (0.75) CASRROCK2ROCK1

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-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
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.