SCHEMBL2436352

SCHEMBL2436352

O=C(O)c1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.77
HTT P42858 8/20 0.69
ALOX12 P18054 7/20 0.69
LMNA P02545 7/20 0.69
MAPT P10636 7/20 0.69
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
ALPL P05186 3/20 0.69
ALPI P09923 1/20 0.69
ALPG P10696 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
RAB9A P51151 2/20 0.64
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
EPHX2 P34913 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL2438339 0.88 CASR (0.79) CASRHTTALOX12LMNAMAPT
SCHEMBL2431701 0.87 CASR (1.00) CASRALDH1A1RAB9AEPHX2NPC1
SCHEMBL14189777 0.85 LMNA (0.71) CASRHTTALOX12LMNAMAPT
SCHEMBL2431204 0.85 MAPT (0.66) CASRHTTALOX12LMNAMAPT
SCHEMBL2431155 0.85 CASR (0.77) CASRHTTALOX12LMNAMAPT
SCHEMBL14189778 0.81 CASR (0.72) CASRHTTALOX12LMNAMAPT
SCHEMBL2430532 0.81 CASR (0.72) CASRHTTALOX12LMNAMAPT
SCHEMBL11517562 0.79 CA1 (0.71) HTTALOX12ALDH1A1MEN1KMT2A
SCHEMBL7657493 0.78 LMNA (0.67) CASRHTTALOX12LMNAMAPT
SCHEMBL2435519 0.78 CASR (0.81) CASRHTTALOX12LMNAMAPT

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-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 2/4885HTT 3964/4885ALOX12 1326/4885

“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.