SCHEMBL565749

SCHEMBL565749

O=C1/C(=C/Cl)SCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.53
▸ CES1 P23141 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ S100A4 P26447 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ AKR1B1 P15121 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ MAOB P27338 3/20 0.38
▸ MIF P14174 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL567340 1.00 ACHE (0.53) ACHECES1MAOAS100A4BCHE
SCHEMBL565750 1.00 ACHE (0.53) ACHECES1MAOAS100A4BCHE
SCHEMBL566736 0.82 ACHE (0.53) ACHECES1MAOAS100A4BCHE
SCHEMBL566735 0.82 ACHE (0.53) ACHECES1MAOAS100A4BCHE
SCHEMBL31123671 0.72 ACHE (0.59) ACHECES1MAOAS100A4BCHE
SCHEMBL31510701 0.72 ACHE (0.59) ACHECES1MAOAS100A4BCHE
SCHEMBL86279 0.72 ACHE (0.59) ACHECES1MAOAS100A4BCHE
SCHEMBL10778357 0.70 ACHE (0.81) ACHECES1MAOAS100A4BCHE
SCHEMBL5845169 0.70 ACHE (1.00) ACHECES1MAOAS100A4BCHE
SCHEMBL16559335 0.69 ACHE (0.50) ACHECES1MAOAS100A4BCHE

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 — — EP claimed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 — — EP claimed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 — — US claimed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 — — US disclosed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 — — US disclosed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 — — US disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 — — EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 — — EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 — — EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 — — US disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 — — US disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 — — US 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-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST ACHE 2202/4885CES1 3820/4885MAOA 4297/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC ACHE 1217/4885CES1 3694/4885MAOA 798/4885

“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.

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