SCHEMBL3560271

SCHEMBL3560271

O=C(Nc1ccc(Cl)cc1)NC(C(=O)NC1=CCC(=NN2CCCCC2)C=C1)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 8/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB2 P07550 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3561031 0.99 CNR2 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3560666 0.92 FPR2 (0.40) CNR1MAPTSMN1; SMN2FPR1FPR2
SCHEMBL3566120 0.91 FPR2 (0.41) CNR1MAPTSMN1; SMN2FPR1FPR2
SCHEMBL3560764 0.91 SMN1; SMN2 (0.36) CNR2CNR1KDM4EMAPTHPGD
SCHEMBL3567223 0.89 CNR1 (0.34) CNR2CNR1MAPTHRH3SMN1; SMN2
SCHEMBL3566653 0.89 CNR1 (0.36) CYP1A2CYP2C19CNR1KDM4EMAPT
SCHEMBL3566171 0.89 CNR1 (0.34) CNR2CNR1HRH3NPSR1SMN1; SMN2
SCHEMBL3570075 0.88 MAPT (0.38) CNR1MAPTHPGDNPSR1SMN1; SMN2
SCHEMBL3556133 0.88 FPR2 (0.40) CNR1KDM4EMAPTNPSR1SMN1; SMN2
SCHEMBL3563086 0.86 FPR2 (0.40) CNR1MAPTSMN1; SMN2FPR2HTT

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 CYP1A2 147/4885CYP3A4 137/4885CYP2D6 308/4885

“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.