SCHEMBL1027463

SCHEMBL1027463

Cc1c(Cl)cccc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
AKR1B1 P15121 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL340785 0.82 TDP1 (0.49) TDP1LMNAKMT2AMEN1TSHR
SCHEMBL341820 0.82 TDP1 (0.56) TDP1KMT2AMEN1AKR1B1ALDH1A1
SCHEMBL11072412 0.81 TDP1 (0.47) TDP1KMT2AAKR1B1TSHRKDM4E
SCHEMBL14691301 0.81 TDP1 (0.47) TDP1KMT2AAKR1B1TSHRKDM4E
SCHEMBL1027427 0.80 AHCY (0.43) TDP1LMNAKMT2AMEN1AKR1B1
SCHEMBL27812457 0.77 AKR1B1 (0.49) TDP1LMNAKMT2AMEN1AKR1B1
SCHEMBL2089203 0.75 MEN1 (0.46) LMNAKMT2AMEN1AKR1B1TSHR
SCHEMBL342415 0.75 TDP1 (0.66) TDP1AKR1B1KDM4EALDH1A1USP2
SCHEMBL2176077 0.74 KEAP1 (0.64) LMNAKMT2AMEN1
SCHEMBL12406993 0.74 KEAP1 (0.64) LMNAKMT2AMEN1

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 13 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
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
WO-2011043479-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION 田辺三菱製薬株式会社 (JP) 2011-04-14 WO disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 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
WO-2009125853-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2009-10-15 WO 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 TDP1 4245/4885LMNA 3028/4885KMT2A 2852/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TDP1 744/4885LMNA 2551/4885KMT2A 1006/4885

“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.