SCHEMBL3565833

SCHEMBL3565833

O=C(Nc1ccc(Cl)cc1)NC(C(=O)NC1=CCC(=NN2CCC2)C=C1F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.38
CNR1 P21554 4/20 0.38
ALDH1A1 P00352 7/20 0.37
FPR2 P25090 1/20 0.36
MAPT P10636 2/20 0.36
CASR P41180 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3569299 0.98 CNR1 (0.38) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL3566273 0.89 MAPT (0.35) CNR1ALDH1A1FPR2MAPTSMN1; SMN2
SCHEMBL3557282 0.85 UTS2R (0.40) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL3573295 0.85 CNR1 (0.39) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL3563086 0.83 FPR2 (0.40) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL3570566 0.82 MAPT (0.41) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL5818284 0.82 ALDH1A1 (0.35) EP300CNR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3556133 0.81 FPR2 (0.40) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL3565837 0.81 CNR1 (0.39) EP300CNR1ALDH1A1FPR2MAPT
SCHEMBL3564011 0.80 UTS2R (0.38) EP300CNR1ALDH1A1FPR2MAPT

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 EP300 3505/4885CNR1 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.