SCHEMBL1027444

SCHEMBL1027444

Cc1nc(-c2ccc(C)c(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N3Cc4ccsc4C3)c2)no1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.35
LMNA P02545 4/20 0.32
MAPT P10636 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
KIT P10721 3/20 0.32
THRB P10828 1/20 0.31
MAPK14 Q16539 1/20 0.31
POLB P06746 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
SCHEMBL1029093 0.92 GPR119 (0.34) LMNAMAPTGPR119KITTHRB
SCHEMBL1025418 0.92 ACKR3 (0.41) ACKR3LMNAMAPTGPR119KIT
SCHEMBL1026128 0.89 ACKR3 (0.37) ACKR3LMNAMAPTGPR119KIT
SCHEMBL1028852 0.89 MAPT (0.38) ACKR3LMNAMAPTKITTHRB
SCHEMBL11895744 0.88 ACKR3 (0.40) ACKR3LMNAMAPTGPR119KIT
SCHEMBL1026569 0.87 ACKR3 (0.34) ACKR3LMNAMAPTGPR119KIT
SCHEMBL1026029 0.86 ACKR3 (0.43) ACKR3LMNAMAPTGPR119KIT
Hydrochloric Acid SCHEMBL1026767 0.86 MAPK14 (0.34) LMNAMAPTTHRBMAPK14POLB
SCHEMBL1028768 0.85 ACKR3 (0.41) ACKR3LMNAGPR119KIT
SCHEMBL1028761 0.84 LMNA (0.37) ACKR3LMNAMAPTGPR119KIT

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

“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.