SCHEMBL1025804

SCHEMBL1025804

CCNCCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1cc2c(cc1C)N(CC)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.38
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
THRB P10828 1/20 0.32
ACKR3 P25106 6/20 0.32
ATAD2 Q6PL18 1/20 0.32
NR1I3 Q14994 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

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
Hydrochloric Acid SCHEMBL1028375 0.99 AHCY (0.39) AHCYMAPTTP53POLBLMNA
SCHEMBL1027318 0.91 ACKR3 (0.38) AHCYMAPTTP53POLBLMNA
Hydrochloric Acid SCHEMBL1027026 0.91 AHCY (0.38) AHCYMAPTGRIN1GRIN2BACKR3
Hydrochloric Acid SCHEMBL1026548 0.90 ACKR3 (0.37) AHCYMAPTTP53POLBLMNA
SCHEMBL1025625 0.86 AHCY (0.36) AHCYMAPTTP53POLBLMNA
Hydrochloric Acid SCHEMBL1027567 0.85 AHCY (0.39) AHCYACKR3NR1I3SLC6A2SLC6A4
SCHEMBL1028069 0.84 ACKR3 (0.43) AHCYMAPTTP53POLBLMNA
SCHEMBL1027948 0.84 AHCY (0.38) AHCYLMNAACKR3NR1I3SLC6A2
Hydrochloric Acid SCHEMBL1026920 0.83 AHCY (0.39) AHCYACKR3NR1I3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1026945 0.81 ACKR3 (0.38) AHCYACKR3

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 10 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 claimed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP claimed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US claimed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US claimed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP claimed
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 4108/4885MAPT 230/4885TP53 1538/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885MAPT 1767/4885TP53 1633/4885

“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.