SCHEMBL2431701

SCHEMBL2431701

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 1.00
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CBS P35520 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL2435519 0.90 CASR (0.81) CASRALDH1A1NPC1RAB9A
SCHEMBL2430642 0.87 CASR (1.00) CASRALDH1A1NPC1RAB9A
SCHEMBL2436352 0.87 CASR (0.77) CASREPHX2ALDH1A1NPC1RAB9A
SCHEMBL2431155 0.87 CASR (0.77) CASREPHX2ALDH1A1NPC1RAB9A
SCHEMBL2429151 0.87 CASR (0.76) CASRALDH1A1NPC1RAB9A
SCHEMBL2437588 0.86 CASR (0.74) CASREPHX2ALDH1A1RAB9A
SCHEMBL14310626 0.85 CASR (0.74) CASREPHX2
SCHEMBL2431141 0.85 CASR (1.00) CASRALDH1A1
SCHEMBL2430546 0.85 CASR (0.76) CASREPHX2
SCHEMBL12329370 0.84 CASR (0.72) CASRALDH1A1CBSNPC1RAB9A

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
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 2/4885EPHX2 3399/4885ALDH1A1 785/4885

“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.