SCHEMBL3561031

SCHEMBL3561031

O=C(Nc1ccc(Cl)cc1)NC(C(=O)NC1=CCC(=NN2CCCC2)C=C1)c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 8/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
EPHX2 P34913 2/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 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
SCHEMBL3560271 0.99 CYP1A2 (0.35) CNR2CNR1KDM4EMAPTEPHX2
SCHEMBL3566120 0.91 FPR2 (0.41) CNR1MAPTLMNAHTTFPR1
SCHEMBL3560764 0.91 SMN1; SMN2 (0.36) CNR2CNR1KDM4EMAPTHPGD
SCHEMBL3560666 0.91 FPR2 (0.40) CNR1MAPTHTTFPR1FPR2
SCHEMBL3567223 0.90 CNR1 (0.34) CNR2CNR1MAPTFPR2MEN1
SCHEMBL3566171 0.90 CNR1 (0.34) CNR2CNR1NPSR1
SCHEMBL3566653 0.90 CNR1 (0.36) CNR1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL3570075 0.89 MAPT (0.38) CNR1MAPTHPGDLMNAHTT
SCHEMBL3556133 0.89 FPR2 (0.40) CNR1KDM4EMAPTLMNAFPR2
SCHEMBL3563086 0.87 FPR2 (0.40) CNR1MAPTHTTFPR2

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 6 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
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 CNR2 1984/4885CNR1 1500/4885KDM4E 2457/4885

“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.