SCHEMBL3558910

SCHEMBL3558910

CN1CCN=C1c1ccc(NC(=O)C(c2ccccc2Cl)N(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.42
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KLK1 P06870 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
EP300 Q09472 5/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL3568352 0.92 F10 (0.42) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3571912 0.91 F10 (0.43) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3564016 0.91 F10 (0.41) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3565553 0.91 F10 (0.41) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3571907 0.91 F10 (0.41) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3565023 0.89 F10 (0.43) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3573308 0.88 F10 (0.39) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3566287 0.87 F10 (0.38) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3560044 0.87 F10 (0.38) F10ALDH1A1GAAKDM4EMAPT
SCHEMBL3574000 0.85 F10 (0.42) F10ALDH1A1KLK1EP300

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 F10 9/4885ALDH1A1 1143/4885GAA 495/4885

“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.