SCHEMBL2431910

SCHEMBL2431910

COC(=O)c1cccc(NC(=O)NCCC(c2ccc(C)cc2)c2ccc(C)cc2)c1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.85
GPR17 Q13304 1/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.50
MAPT P10636 2/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL2430642 0.92 CASR (1.00) CASRRAB9ANPC1MAPTMEN1
SCHEMBL2432077 0.90 CASR (0.83) CASRRAB9ANPC1MAPTSLC6A3
SCHEMBL2435519 0.90 CASR (0.81) CASRRAB9ANPC1MAPTSLC6A3
SCHEMBL2462520 0.85 CASR (0.84) CASRMAPTMEN1KMT2A
SCHEMBL2434317 0.84 CASR (0.81) CASRRAB9ANPC1MAPTMEN1
SCHEMBL2429603 0.82 CASR (0.77) CASRRAB9ANPC1MAPTMEN1
SCHEMBL2429151 0.82 CASR (0.76) CASRRAB9ANPC1MAPTSLC6A3
SCHEMBL2438339 0.81 CASR (0.79) CASRRAB9ANPC1MAPTMEN1
SCHEMBL2427158 0.80 CASR (0.78) CASRGPR17RAB9ANPC1MAPT
SCHEMBL2431701 0.79 CASR (1.00) CASRRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 2/4885GPR17 3/4885RAB9A 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.