SCHEMBL1027072

SCHEMBL1027072

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc2c(cnn2CC(F)F)cc1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.37
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM1 P11229 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAPK14 Q16539 1/20 0.32
NOTUM Q6P988 1/20 0.31
NAMPT P43490 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
SCHEMBL1029249 0.97 AHCY (0.37) AHCYPOLBTSHRHSD17B10CHRM1
SCHEMBL1027271 0.93 MAPK14 (0.35) AHCYCHRM1MAPK14NAMPT
SCHEMBL1026547 0.91 AHCY (0.35) AHCYMAPK14
SCHEMBL1028634 0.90 MAPK14 (0.35) AHCYCHRM1MAPK14NAMPT
SCHEMBL1026386 0.89 DPP8 (0.32) AHCYCHRM1MAPK14
SCHEMBL1027301 0.88 AHCY (0.39) AHCYPOLBTSHRHSD17B10NOTUM
SCHEMBL1025223 0.88 AHCY (0.35) AHCYMAPK14
SCHEMBL1026358 0.87 AHCY (0.40) AHCYPOLBTSHRHSD17B10NOTUM
SCHEMBL11975755 0.86 AHCY (0.51) AHCYMAPK14NOTUM
SCHEMBL1026881 0.85 AHCY (0.37) AHCYPOLBTSHRHSD17B10

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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 (2 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 4108/4885POLB 4635/4885TSHR 4241/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885POLB 1266/4885TSHR 2667/4885

“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.