SCHEMBL3566095

SCHEMBL3566095

CN1CCN=C1c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)N(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.43
HDAC3 O15379 7/20 0.43
HDAC4 P56524 7/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC7 Q8WUI4 7/20 0.43
HDAC2 Q92769 7/20 0.43
HDAC10 Q969S8 7/20 0.43
HDAC11 Q96DB2 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HDAC9 Q9UKV0 7/20 0.43
HDAC5 Q9UQL6 7/20 0.43
CCKBR P32239 1/20 0.41
RUVBL1 Q9Y265 4/20 0.41
GOT1 P17174 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
F10 P00742 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL3570026 0.86 MAPT (0.39) F10
SCHEMBL3566368 0.85 F10 (0.42) F10
SCHEMBL3566097 0.83 CCKBR (0.57) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL3574164 0.82 F10 (0.40) F10
SCHEMBL3563906 0.81 F10 (0.40) F10
SCHEMBL3562609 0.81 F10 (0.40) F10
SCHEMBL3564282 0.80 F10 (0.39) F10
SCHEMBL3569443 0.79 F10 (0.39) F10
SCHEMBL3574011 0.79 F10 (0.39) F10
SCHEMBL3563374 0.79 F10 (0.39) F10

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 HDAC8 1082/4885HDAC3 632/4885HDAC4 1366/4885

“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.