SCHEMBL3569301

SCHEMBL3569301

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
EP300 Q09472 4/20 0.39
ALDH1A1 P00352 5/20 0.38
FPR2 P25090 1/20 0.38
MAPT P10636 3/20 0.37
CASR P41180 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
F10 P00742 2/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
NR4A1 P22736 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2B Q14289 1/20 0.34
LMNA P02545 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
SCHEMBL3565837 0.98 CNR1 (0.39) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL3566275 0.90 CNR2 (0.35) CNR1ALDH1A1FPR2MAPTNPSR1
SCHEMBL3573299 0.84 CNR1 (0.41) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL3557284 0.84 UTS2R (0.40) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL3556133 0.83 FPR2 (0.40) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL3563086 0.81 FPR2 (0.40) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL3569299 0.81 CNR1 (0.38) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL3565833 0.79 EP300 (0.38) CNR1EP300ALDH1A1FPR2MAPT
SCHEMBL5818286 0.78 ALDH1A1 (0.37) CNR1EP300ALDH1A1MAPTNPSR1
SCHEMBL3561031 0.76 CNR2 (0.35) CNR1FPR2MAPTNPSR1KDM4E

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 CNR1 1500/4885EP300 3505/4885ALDH1A1 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.