SCHEMBL16905520

SCHEMBL16905520

N#Cc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ G6PD P11413 2/20 0.46
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AR P10275 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.36
▸ APP P05067 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PRSS12 P56730 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
SCHEMBL549183 0.90 G6PD (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL11631827 0.90 KDM4E (0.50) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL17037096 0.89 G6PD (0.44) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL16906027 0.89 GPR3 (0.54) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21116843 0.86 APP (0.44) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL10053267 0.83 G6PD (0.40) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL21692464 0.83 LIMK1 (0.48) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL15158535 0.82 ABCG2 (0.44) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23625848 0.82 STS (0.42) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL15318115 0.81 ALDH1A1 (0.46) GPR3ALDH1A1MAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397397-B Diaryl and episulfide and selenides and its synthesis and application 华东师范大学 2019-02-01 — — CN claimed
CN-105820098-B Diaryl sulfide class compound and its synthetic method and application 华东师范大学 2018-08-24 — — CN claimed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 — — US disclosed
CN-106397397-B Diaryl and episulfide and selenides and its synthesis and application 华东师范大学 2019-02-01 — — CN disclosed
CN-105820098-B Diaryl sulfide class compound and its synthetic method and application 华东师范大学 2018-08-24 — — CN disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 — — EP disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 — — US disclosed
US-20160365520-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-12-15 — — US disclosed
WO-2015104045-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-07-16 — — 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-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 GPR3 4376/4885ALDH1A1 3721/4885MAPT 1084/4885
US-20160365520-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 GPR3 4376/4885ALDH1A1 3721/4885MAPT 1084/4885

“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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