SCHEMBL1029809

SCHEMBL1029809

CNCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.48
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B3 P37058 2/20 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
Hydrochloric Acid SCHEMBL1027965 0.94 AHCY (0.48) AHCYTAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL1028317 0.91 AHCY (0.52) AHCYTAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL1028995 0.91 AHCY (0.50) AHCYTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL1026715 0.90 AHCY (0.42) AHCYTAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL1029987 0.89 AHCY (0.45) AHCYTAS1R3TAS1R1TAS1R2MEN1
Hydrochloric Acid SCHEMBL1025505 0.89 AHCY (0.44) AHCYTAS1R3TAS1R1TAS1R2MEN1
SCHEMBL1025915 0.86 AHCY (0.50) AHCYSIGMAR1TSHR
SCHEMBL1026757 0.83 AHCY (0.44) AHCYTP53POLB
Hydrochloric Acid SCHEMBL1029866 0.83 AHCY (0.40) AHCYMEN1KMT2AOPRM1OPRD1
Hydrochloric Acid SCHEMBL1028159 0.82 AHCY (0.42) AHCYTAS1R3TAS1R1TAS1R2MEN1

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 4108/4885TAS1R3 3550/4885TAS1R1 3634/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885TAS1R3 2708/4885TAS1R1 1853/4885

“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.