SCHEMBL2428039

SCHEMBL2428039

COc1ccc(CNC(=O)N(S)CCC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.63
CCR5 P51681 2/20 0.55
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
TACR1 P25103 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5025964 0.83 CASR (0.60) CASRCNR1CNR2KMT2AMEN1
SCHEMBL4398663 0.83 CASR (0.60) CASRCCR5CNR1CNR2KMT2A
SCHEMBL3822994 0.78 ALDH1A1 (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2432652 0.78 CASR (1.00) CASRCNR1CNR2KMT2AMEN1
SCHEMBL10690937 0.73 CASR (0.62) CASRKMT2AMEN1NPC1RAB9A
SCHEMBL29221787 0.73 NPC1 (0.63) CASRKMT2AMEN1NPC1RAB9A
SCHEMBL6398004 0.73 TAAR1 (0.52) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL25332906 0.73 ALDH1A1 (0.60) CASRKMT2AMEN1NPC1RAB9A
SCHEMBL2428037 0.73 CASR (0.73) CASRCNR1CNR2KMT2AMEN1
SCHEMBL6258166 0.72 CASR (0.61) CASRKMT2AMEN1NPC1RAB9A

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 2 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

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 2/4885CCR5 2031/4885CNR1 94/4885

“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.