SCHEMBL2432617

SCHEMBL2432617

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.72
CNR1 P21554 1/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
ALOX12 P18054 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL2431141 0.84 CASR (1.00) CASRCNR1MEN1MAPTKMT2A
SCHEMBL2435621 0.83 CASR (1.00) CASRMEN1MAPTKMT2ANPC1
SCHEMBL2431701 0.83 CASR (1.00) CASRNPC1RAB9AALDH1A1
SCHEMBL30802742 0.80 SMN1; SMN2 (0.61) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL27954484 0.80 SMN1; SMN2 (0.61) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL2434871 0.80 CASR (1.00) CASRMEN1MAPTKMT2ALMNA
SCHEMBL6688407 0.79 KMT2A (0.55) CNR1MEN1MAPTKMT2ANPC1
SCHEMBL2430638 0.79 CASR (0.67) CASRCNR1MEN1MAPTKMT2A
SCHEMBL2430642 0.79 CASR (1.00) CASRMEN1MAPTKMT2ANPC1
SCHEMBL14052664 0.78 PDK1 (0.58) MEN1MAPTKMT2ANPC1RAB9A

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 2/4885CNR1 94/4885MEN1 2770/4885

“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.