SCHEMBL2431155

SCHEMBL2431155

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.77
ALDH1A1 P00352 3/20 0.56
EPHX2 P34913 1/20 0.54
ALOX12 P18054 3/20 0.52
HTT P42858 3/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KMT2A Q03164 4/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MITF O75030 1/20 0.49
MAPK1 P28482 1/20 0.49
MTNR1A P48039 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
SCHEMBL2431701 0.87 CASR (1.00) CASRALDH1A1EPHX2RAB9ANPC1
SCHEMBL2436352 0.85 CASR (0.77) CASRALDH1A1EPHX2ALOX12HTT
SCHEMBL2430532 0.81 CASR (0.72) CASRALDH1A1EPHX2ALOX12HTT
SCHEMBL14189778 0.81 CASR (0.72) CASRALDH1A1EPHX2ALOX12HTT
SCHEMBL2435519 0.78 CASR (0.81) CASRALDH1A1ALOX12HTTCNR1
SCHEMBL2430642 0.75 CASR (1.00) CASRALDH1A1KMT2ARAB9AMEN1
SCHEMBL2429151 0.75 CASR (0.76) CASRALDH1A1ALOX12HTTCNR1
SCHEMBL13381221 0.75 ALDH1A1 (0.74) CASRALDH1A1ALOX12HTTKMT2A
SCHEMBL2437588 0.74 CASR (0.74) CASRALDH1A1EPHX2HTTKMT2A
SCHEMBL11789319 0.74 MEN1 (0.65) ALDH1A1ALOX12HTTKMT2ARAB9A

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 2/4885ALDH1A1 785/4885EPHX2 3399/4885

“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.