SCHEMBL2433788

SCHEMBL2433788

O=C(CCN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)N[C@H]1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.56
LMNA P02545 3/20 0.49
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 3/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
DUSP3 P51452 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
GSTO1 P78417 1/20 0.42
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ELOVL1 Q9BW60 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2433536 1.00 CASR (0.56) CASRLMNARAB9AKMT2AMAPT
SCHEMBL2433531 1.00 CASR (0.56) CASRLMNARAB9AKMT2AMAPT
SCHEMBL2462483 0.96 CASR (0.55) CASRLMNARAB9AKMT2AMAPT
SCHEMBL2464622 0.96 CASR (0.55) CASRLMNARAB9AKMT2AMAPT
SCHEMBL2462485 0.96 CASR (0.55) CASRLMNARAB9AKMT2AMAPT
SCHEMBL2429940 0.88 CASR (0.61) CASRLMNAKMT2ACDC25ACDC25B
SCHEMBL2429936 0.88 CASR (0.61) CASRLMNAKMT2ACDC25ACDC25B
SCHEMBL4220282 0.81 LMNA (0.45) LMNARAB9AKMT2AMAPTCDC25A
SCHEMBL2432078 0.81 CASR (0.55) CASRRAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL2432080 0.81 CASR (0.55) CASRRAB9AKMT2ANPC1SMN1; SMN2

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 2/4885LMNA 3794/4885RAB9A 3208/4885

“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.