SCHEMBL3561245

SCHEMBL3561245

CN1CCN=C1c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.41
SLC6A3 Q01959 1/20 0.41
EP300 Q09472 4/20 0.41
F10 P00742 2/20 0.41
CNR1 P21554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL3563371 0.91 CNR1 (0.49) ROCK2EP300F10CNR1UTS2R
SCHEMBL3564096 0.90 EP300 (0.48) EP300F10CNR1ALDH1A1MAPT
SCHEMBL3565027 0.90 EP300 (0.48) EP300F10CNR1ALDH1A1MAPT
SCHEMBL3570136 0.90 EP300 (0.48) EP300F10CNR1ALDH1A1MAPT
SCHEMBL3574004 0.86 ROCK2 (0.46) ROCK2EP300F10CNR1UTS2R
SCHEMBL3569137 0.85 F10 (0.40) ROCK2EP300F10CNR1MAPT
SCHEMBL3564018 0.85 F10 (0.43) EP300F10CNR1MAPTUTS2R
SCHEMBL3562900 0.84 LMNA (0.45) EP300F10CNR1ALDH1A1
SCHEMBL8263579 0.84 KMT2A (0.48) CNR1MAPT
SCHEMBL3558912 0.83 F10 (0.45) EP300F10CNR1MAPTUTS2R

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 8 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-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 ROCK2 3506/4885SLC6A3 2300/4885EP300 3505/4885

“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.