SCHEMBL2432077

SCHEMBL2432077

COC(=O)c1cccc(NC(=O)NCCC(c2ccc(OC)cc2)c2ccc(OC)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.83
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
ALPL P05186 1/20 0.52
MAPT P10636 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
SLC6A3 Q01959 2/20 0.52
FPR2 P25090 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 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
SCHEMBL2429151 0.92 CASR (0.76) CASRCNR1CNR2SMN1; SMN2MEN1
SCHEMBL2430642 0.91 CASR (1.00) CASRMEN1KMT2AALDH1A1MAPT
SCHEMBL2431910 0.90 CASR (0.85) CASRCNR1CNR2MEN1KMT2A
SCHEMBL2434871 0.82 CASR (1.00) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL2462520 0.82 CASR (0.84) CASRTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2429603 0.81 CASR (0.77) CASRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2434317 0.81 CASR (0.81) CASRTP53SMN1; SMN2MEN1KMT2A
SCHEMBL2434172 0.81 CASR (1.00) CASRCNR1CNR2SMN1; SMN2MEN1
SCHEMBL2438339 0.80 CASR (0.79) CASRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2435519 0.79 CASR (0.81) CASRCNR1CNR2ALDH1A1LMNA

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 2/4885CNR1 94/4885CNR2 179/4885

“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.