SCHEMBL1024751

SCHEMBL1024751

Cc1cccc(C)c1N(CC(=O)O)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NLRP3 Q96P20 1/20 0.36
OPRM1 P35372 5/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NAMPT P43490 1/20 0.33
NOTUM Q6P988 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1025266 0.89 TAS1R3 (0.43) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL1026661 0.88 AHCY (0.42) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL1028549 0.84 MEN1 (0.44) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL1026598 0.80 RXRB (0.45) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL1027427 0.80 AHCY (0.43) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL1026932 0.80 RXRA (0.45) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL11975576 0.80 AHCY (0.47) AHCYALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1027747 0.80 ALDH1A1 (0.41) AHCYKDM4EMEN1KMT2AALDH1A1
SCHEMBL1026073 0.80 AHCY (0.39) AHCYMEN1KMT2ANLRP3
SCHEMBL1025998 0.79 AHCY (0.41) AHCYKDM4EMEN1KMT2ANLRP3

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 4108/4885KDM4E 3723/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885KDM4E 2360/4885MEN1 514/4885

“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.