SCHEMBL11896239

SCHEMBL11896239

CCN(CCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc(-c2noc(C(F)F)n2)ccc1C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.41
HDAC4 P56524 1/20 0.34
NPY2R P49146 2/20 0.32
KCNT1 Q5JUK3 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
NAMPT P43490 1/20 0.31
PARP1 P09874 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1027677 0.89 AHCY (0.40) AHCYTP53MAPT
SCHEMBL11975279 0.87 AHCY (0.43) AHCYHDAC4KCNT1GPR119NAMPT
Hydrochloric Acid SCHEMBL11895746 0.86 AHCY (0.44) AHCYHDAC4KCNT1GPR119NAMPT
SCHEMBL1196620 0.86 HDAC4 (0.34) HDAC4NPY2RKCNT1GPR119TP53
SCHEMBL1198040 0.82 AHCY (0.42) AHCYGPR119NAMPTTP53MAPT
SCHEMBL11974831 0.82 AHCY (0.43) AHCYHDAC4KCNT1NAMPT
SCHEMBL11903758 0.81 AHCY (0.45) AHCYNAMPTPARP1
Hydrochloric Acid SCHEMBL11903816 0.81 AHCY (0.44) AHCYHDAC4KCNT1NAMPT
SCHEMBL11975774 0.80 AHCY (0.50) AHCYHDAC4NPY2RNAMPT
SCHEMBL1026274 0.80 HDAC4 (0.35) AHCYHDAC4NPY2RKCNT1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 AHCY 4108/4885HDAC4 587/4885NPY2R 2353/4885

“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.