SCHEMBL1028852

SCHEMBL1028852

COc1ccc2c(c1)CN(N(C)C(=O)CN(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)CNc1cc(-c3noc(C)n3)ccc1C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ACKR3 P25106 3/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KIT P10721 1/20 0.33
THRB P10828 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1027466 0.93 MAPT (0.38) MAPTLMNATHRBHTR1DHTR1B
SCHEMBL1025418 0.93 ACKR3 (0.41) MAPTLMNAACKR3KIT
SCHEMBL1026128 0.93 ACKR3 (0.37) MAPTLMNAACKR3KIT
SCHEMBL1026569 0.91 ACKR3 (0.34) MAPTLMNAACKR3KIT
SCHEMBL1027444 0.89 ACKR3 (0.35) MAPTLMNAACKR3KITTHRB
SCHEMBL11895744 0.89 ACKR3 (0.40) MAPTLMNAACKR3KITHTR1D
SCHEMBL1027375 0.88 LMNA (0.38) MAPTLMNATSHRALDH1A1L3MBTL1
SCHEMBL1026029 0.87 ACKR3 (0.43) MAPTLMNAACKR3TSHRALDH1A1
Hydrochloric Acid SCHEMBL1027545 0.87 LMNA (0.38) MAPTLMNATP53NPSR1THRB
SCHEMBL1028768 0.87 ACKR3 (0.41) LMNAACKR3TP53KIT

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 MAPT 230/4885LMNA 3028/4885ACKR3 1777/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MAPT 1767/4885LMNA 2551/4885ACKR3 4604/4885

“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.