SCHEMBL2431141

SCHEMBL2431141

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(-c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 1.00
MGLL Q99685 1/20 0.62
CNR1 P21554 1/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL2433648 0.87 CASR (1.00) CASRCNR1
SCHEMBL2435621 0.85 CASR (1.00) CASRLMNAMAPTALOX12HTT
SCHEMBL2431701 0.85 CASR (1.00) CASRALDH1A1
SCHEMBL2432617 0.84 CASR (0.72) CASRCNR1LMNAMAPTALOX12
SCHEMBL2427536 0.84 CASR (0.71) CASR
SCHEMBL2434871 0.82 CASR (1.00) CASRLMNAMAPTALOX12HTT
SCHEMBL12329215 0.81 CASR (0.67) CASRMGLLLMNAMAPTALOX12
SCHEMBL2430638 0.81 CASR (0.67) CASRCNR1MAPTHTTMEN1
SCHEMBL2430642 0.81 CASR (1.00) CASRMAPTMEN1ALDH1A1KMT2A
SCHEMBL14310626 0.79 CASR (0.74) CASRLMNAMAPTALOX12HTT

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 3 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

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 2/4885MGLL 4425/4885CNR1 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.