SCHEMBL2432848

SCHEMBL2432848

O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.67
EPHX1 P07099 1/20 0.66
KDM4E B2RXH2 4/20 0.63
GSK3B P49841 1/20 0.63
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.56
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
NPY5R Q15761 1/20 0.53

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
SCHEMBL2433439 0.80 CASR (1.00) CASRALDH1A1MAPTLMNACNR1
SCHEMBL4902252 0.80 EPHX1 (0.73) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL12196197 0.80 EPHX1 (1.00) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL29971510 0.78 KDM4E (1.00) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL1395176 0.78 KDM4E (1.00) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL2433522 0.78 CASR (0.67) CASRMAPTMEN1KMT2ALMNA
SCHEMBL10089308 0.77 EPHX1 (0.83) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL20472314 0.77 NPY5R (0.65) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL8545918 0.77 EPHX1 (0.64) EPHX1KDM4EGSK3BALDH1A1MAPT
SCHEMBL31254114 0.77 NPY5R (0.65) EPHX1KDM4EGSK3BALDH1A1MAPT

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 2/4885EPHX1 2713/4885KDM4E 3540/4885

“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.