SCHEMBL1027301

SCHEMBL1027301

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc2cnn(CC)c2cc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.39
NOTUM Q6P988 1/20 0.37
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC16A3 O15427 4/20 0.33
SLC16A1 P53985 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
BRD4 O60885 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 1/20 0.31
RECQL P46063 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
SCHEMBL1026773 0.92 AHCY (0.40) AHCYNOTUMTSHRPOLBHSD17B10
SCHEMBL1029249 0.92 AHCY (0.37) AHCYNOTUMTSHRPOLBHSD17B10
SCHEMBL1028037 0.91 DPP8 (0.33) AHCYNOTUMPOLBSMN1; SMN2GAA
SCHEMBL1026358 0.88 AHCY (0.40) AHCYNOTUMTSHRPOLBHSD17B10
SCHEMBL1027072 0.88 AHCY (0.37) AHCYNOTUMTSHRPOLBHSD17B10
SCHEMBL11975197 0.85 AHCY (0.55) AHCYNOTUMOPRM1OPRK1
SCHEMBL1028634 0.84 MAPK14 (0.35) AHCYNAMPT
SCHEMBL1026386 0.84 DPP8 (0.32) AHCY
SCHEMBL1028229 0.83 AHCY (0.40) AHCYSMN1; SMN2MEN1KMT2ANAMPT
SCHEMBL1026234 0.83 AHCY (0.33) AHCYNOTUMTSHRSMN1; SMN2MEN1

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 4108/4885NOTUM 3617/4885TSHR 4241/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NOTUM 379/4885TSHR 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.