SCHEMBL3566097

SCHEMBL3566097

CN1CCN=C1c1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.57
HDAC8 Q9BY41 8/20 0.55
HDAC3 O15379 7/20 0.55
HDAC4 P56524 7/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC7 Q8WUI4 7/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC10 Q969S8 7/20 0.55
HDAC11 Q96DB2 7/20 0.55
HDAC6 Q9UBN7 7/20 0.55
HDAC9 Q9UKV0 7/20 0.55
HDAC5 Q9UQL6 7/20 0.55
FPR2 P25090 5/20 0.50
FPR1 P21462 3/20 0.49

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
SCHEMBL3570030 0.85 LMNA (0.41) CCKBR
SCHEMBL3570028 0.84 STING1 (0.44) CCKBRHDAC8HDAC3HDAC4HDAC1
SCHEMBL3566371 0.84 FPR2 (0.45) FPR2
SCHEMBL3566095 0.83 HDAC8 (0.43) CCKBRHDAC8HDAC3HDAC4HDAC1
SCHEMBL3574167 0.81 F10 (0.42) CCKBRFPR2
SCHEMBL3567334 0.80 UTS2R (0.43) CCKBR
SCHEMBL3562133 0.79 F10 (0.46) CCKBRFPR2
SCHEMBL3567021 0.79 F10 (0.46) CCKBRFPR2
SCHEMBL3562613 0.79 F10 (0.46) CCKBRFPR2
SCHEMBL3564286 0.79 F10 (0.46) CCKBR

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 7 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-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
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 CCKBR 1599/4885HDAC8 1082/4885HDAC3 632/4885

“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.