SCHEMBL751200

SCHEMBL751200

O=C(O)c1nccnc1CSCc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 1/20 0.39
TERT O14746 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLS O94925 1/20 0.34

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
SCHEMBL749567 0.84 HPGD (0.46) HPGDKDM4EMAPTALDH1A1KMT2A
SCHEMBL5855074 0.73 TAAR1 (0.50) HPGDKDM4ECYP1A2ALDH1A1GAA
SCHEMBL31643340 0.71 CYP1A2 (0.60) HPGDKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL12433153 0.71 CYP1A2 (0.60) HPGDKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL27864959 0.69 KDM4E (0.40) HPGDKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL23232393 0.68 CYP2C19 (0.61) HPGDKDM4ECYP1A2ALDH1A1KMT2A
SCHEMBL12433151 0.67 HPGD (0.55) HPGDKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL31643367 0.66 HPGD (0.54) HPGDKDM4EMAPTCYP1A2ALDH1A1
SCHEMBL398923 0.66 KDM4E (0.61) KDM4EMAPTCYP1A2ALDH1A1KMT2A
SCHEMBL20144313 0.66 KDM4E (0.58) KDM4EMAPTCYP1A2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102421783-B Herbicidal compounds SYNGENTA LTD 2014-08-06 CN disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
CN-102421783-A Herbicidal compounds SYNGENTA LTD 2012-04-18 CN disclosed
EP-2430028-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-03-21 EP disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 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 (1 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-20120115726-A1 HERBICIDAL COMPOUNDS DDT, NAT1, DDAH1 HPGD 438/4885KDM4E 2464/4885MAPT 4501/4885

“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.