SCHEMBL3570078

SCHEMBL3570078

CNN=C1C=CC(NC(=O)C(c2ccccc2)N(C(N)=O)c2ccc(Cl)cc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.34
MDM2 Q00987 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3559263 0.88 ALDH1A1 (0.35) TRPM8MDM2GAAALDH1A1SLC6A2
SCHEMBL3573292 0.85 TRPM8 (0.33) TRPM8MDM2GAAALDH1A1
SCHEMBL3563083 0.84 CHRM2 (0.34) TRPM8ALDH1A1UTS2RMEN1KMT2A
SCHEMBL3556129 0.83 CHRM2 (0.33) TRPM8ALDH1A1UTS2RMEN1KMT2A
SCHEMBL3566488 0.77 MDM2 (0.31) MDM2KMT2A
SCHEMBL3560346 0.76 MEN1 (0.33) GAAMEN1KMT2A
SCHEMBL3557277 0.76 ALDH1A1 (0.34) TRPM8MDM2GAAALDH1A1UTS2R
SCHEMBL3564557 0.76
SCHEMBL3573280 0.76 CNR2 (0.32) MEN1KMT2A
SCHEMBL3564406 0.76

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 TRPM8 3464/4885MDM2 4155/4885GAA 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.