SCHEMBL3570559

SCHEMBL3570559

CN(C)Cc1ccccc1-c1ccc(NC(=O)C(c2ccccc2F)N(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
F2 P00734 1/20 0.37
KLK1 P06870 1/20 0.37
CNR1 P21554 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
THRB P10828 1/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CYP2C19 P33261 1/20 0.35
BACE1 P56817 1/20 0.35
UTS2R Q9UKP6 2/20 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
SCHEMBL3559106 0.90 F10 (0.43) F10ITGB1ITGA4ITGB7F2
SCHEMBL3569907 0.89 F10 (0.47) F10ITGB1ITGA4ITGB7F2
SCHEMBL3567712 0.81 P2RY1 (0.44) F10F2KLK1ALDH1A1THRB
SCHEMBL3557259 0.81 HDAC4 (0.44) CNR1MAPTKDM4EALDH1A1TDP1
SCHEMBL3570562 0.80 UTS2R (0.44) F10ITGB1ITGA4ITGB7F2
SCHEMBL3570293 0.80 GAA (0.36) KLK1CNR1MAPTKDM4EALDH1A1
SCHEMBL3559162 0.77 PCTP (0.35) F10KLK1CNR1MAPTKDM4E
SCHEMBL3564016 0.77 F10 (0.41) F10MAPTKDM4EALDH1A1TDP1
SCHEMBL3569300 0.73 CNR2 (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3569909 0.73 F10 (0.48) F10ITGB1ITGA4ITGB7F2

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 F10 9/4885ITGB1 2297/4885ITGA4 2779/4885

“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.