SCHEMBL2433522

SCHEMBL2433522

CSc1ccccc1NC(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.67
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL2430046 0.86 CASR (0.64) CASRMEN1KMT2AMTNR1AMTNR1B
SCHEMBL2433439 0.80 CASR (1.00) CASRMTNR1AMTNR1BCNR1CNR2
SCHEMBL2432848 0.78 CASR (0.67) CASRMEN1KMT2ACNR1CNR2
SCHEMBL13480583 0.77 KMT2A (0.63) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL2433298 0.75 CASR (0.70) CASRMEN1KMT2ACNR1CNR2
SCHEMBL2430084 0.74 CASR (1.00) CASRMEN1KMT2AMTNR1AMTNR1B
SCHEMBL2430878 0.74 CASR (0.64) CASRKMT2AMTNR1AMTNR1BHTT
SCHEMBL17265371 0.74 KMT2A (0.58) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL6723613 0.74 KMT2A (0.58) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL1285621 0.73 CASR (0.60) CASRMTNR1AMTNR1BCNR1CNR2

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 2/4885MEN1 2770/4885KMT2A 4672/4885

“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.