SCHEMBL6096474

SCHEMBL6096474

O=C(NC1N=C(c2ccc(C(F)(F)F)cc2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.69
CCKAR P32238 9/20 0.69
SENP1 Q9P0U3 1/20 0.50
NOTCH1 P46531 1/20 0.50
NOTCH3 Q9UM47 1/20 0.50
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
BRD3 Q15059 1/20 0.50

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
SCHEMBL8711252 0.90 CCKBR (0.65) CCKBRCCKARSENP1
SCHEMBL641969 0.90 CCKBR (0.65) CCKBRCCKARSENP1
SCHEMBL1574399 0.90 CCKBR (0.65) CCKBRCCKARSENP1
SCHEMBL4423335 0.89 CCKBR (0.67) CCKBRCCKARSENP1BRD4BRD2
Water SCHEMBL9229371 0.89 CCKBR (0.64) CCKBRCCKARSENP1
SCHEMBL9432720 0.88 CCKBR (0.58) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL6939944 0.88 CCKBR (0.58) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL6939937 0.88 CCKBR (0.58) CCKBRCCKARSENP1BRD4BRD2
SCHEMBL1574220 0.87 BRD4 (0.61) CCKBRCCKARSENP1NOTCH1NOTCH3
SCHEMBL1574224 0.87 BRD4 (0.61) CCKBRCCKARSENP1NOTCH1NOTCH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US 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-20040082568-A1 Central nervous system disorders; Alzheimer's disease APP, APBA1, DNPEP CCKBR 231/4885CCKAR 416/4885SENP1 558/4885

“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.