SCHEMBL2431972

SCHEMBL2431972

O=C(Nc1nc(-c2ccccc2)cs1)N(CCNCC1CCCCC1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.62
LMNA P02545 4/20 0.50
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
MAPT P10636 2/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ELOVL1 Q9BW60 1/20 0.45
RAB9A P51151 3/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL2431978 0.84 CASR (0.62) CASRLMNAROCK2ROCK1MAPT
SCHEMBL2429367 0.83 CASR (0.62) CASRNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2466739 0.83 CASR (0.70) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL2317588 0.82 CASR (0.83) CASRNPC1
SCHEMBL168485 0.81 CASR (0.68) CASRROCK2ROCK1MAPTNPC1
SCHEMBL2434872 0.80 CASR (0.67) CASRLMNAROCK2ROCK1MAPT
SCHEMBL128180 0.79 CASR (0.66) CASRROCK2ROCK1MAPTNPC1
SCHEMBL12329228 0.79 CASR (0.65) CASRROCK2ROCK1MAPTNPC1
SCHEMBL2437673 0.78 CASR (0.63) CASRROCK2ROCK1MAPTELOVL1
SCHEMBL127385 0.78 CASR (0.82) CASR

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 5 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
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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 (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 2/4885LMNA 3794/4885ROCK2 3901/4885

“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.