SCHEMBL3563543

SCHEMBL3563543

C=CCN(C)N=C1C=CC(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.39
MAPT P10636 2/20 0.38
FPR2 P25090 1/20 0.37
CNR1 P21554 1/20 0.36
CASR P41180 1/20 0.36
EP300 Q09472 7/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL3567078 0.90 MAPT (0.43) UTS2RMAPTFPR2CNR1CASR
SCHEMBL3559267 0.88 FPR2 (0.42) UTS2RMAPTFPR2CNR1CASR
SCHEMBL3567678 0.87 UTS2R (0.40) UTS2RMAPTFPR2CNR1CASR
SCHEMBL3563314 0.85 UTS2R (0.38) UTS2RMAPTFPR2CNR1CASR
SCHEMBL3570085 0.82 FPR2 (0.42) UTS2RMAPTFPR2CNR1CASR
SCHEMBL3556133 0.78 FPR2 (0.40) MAPTFPR2CNR1CASREP300
SCHEMBL3563086 0.78 FPR2 (0.40) UTS2RMAPTFPR2CNR1CASR
SCHEMBL3566489 0.78 UTS2R (0.37) UTS2RMAPTCNR1MEN1GAA
SCHEMBL3560347 0.77 RAB9A (0.38) UTS2RMAPTCNR1MEN1GAA
SCHEMBL3564411 0.77 CNR1 (0.36) UTS2RMAPTFPR2CNR1MEN1

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
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US claimed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 UTS2R 52/4885MAPT 1933/4885FPR2 2332/4885

“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.