SCHEMBL3556133

SCHEMBL3556133

O=C(Nc1ccc(Cl)cc1)NC(C(=O)NC1=CCC(=NN2CCCC2)C=C1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
CNR1 P21554 5/20 0.39
ALDH1A1 P00352 5/20 0.38
EP300 Q09472 5/20 0.37
MAPT P10636 3/20 0.37
CASR P41180 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
NR4A1 P22736 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3563086 0.98 FPR2 (0.40) FPR2CNR1ALDH1A1EP300MAPT
SCHEMBL5801653 0.92 CA1 (0.40) CNR1ALDH1A1EP300MAPTKDM4E
SCHEMBL3560764 0.90 SMN1; SMN2 (0.36) FPR2CNR1ALDH1A1MAPTKDM4E
SCHEMBL3561031 0.89 CNR2 (0.35) FPR2CNR1MAPTKDM4EGAA
SCHEMBL3567223 0.89 CNR1 (0.34) FPR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL3566653 0.89 CNR1 (0.36) CNR1MAPTKDM4ENPC1KMT2A
SCHEMBL3566171 0.89 CNR1 (0.34) CNR1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3570075 0.88 MAPT (0.38) CNR1ALDH1A1MAPTNPC1KMT2A
SCHEMBL3560271 0.88 CYP1A2 (0.35) FPR2CNR1MAPTKDM4EGAA
SCHEMBL3562894 0.86 SMN1; SMN2 (0.40) CNR1ALDH1A1MAPTNPC1KMT2A

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 FPR2 2332/4885CNR1 1500/4885ALDH1A1 1143/4885

“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.