SCHEMBL3077568

SCHEMBL3077568

c1ccc(CSc2nc3ccccc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.69
MAPK1 P28482 4/20 0.69
CYP2D6 P10635 3/20 0.69
CYP2C19 P33261 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
CYP3A4 P08684 2/20 0.69
HIF1A Q16665 1/20 0.69
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
GFER P55789 1/20 0.68
ALDH1A1 P00352 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
HSD17B10 Q99714 5/20 0.65
MAPT P10636 7/20 0.64
HTT P42858 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HPGD P15428 5/20 0.61
LMNA P02545 3/20 0.61
TSHR P16473 3/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL9353607 0.87 NPC1 (0.65) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL9357211 0.87 MGAM (0.66) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL9357216 0.87 RAB9A (0.65) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL3407208 0.87 NPC1 (0.65) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL11666927 0.87 NPC1 (0.69) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL10687158 0.85 NPC1 (0.79) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL28445490 0.84 TSHR (0.57) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL9353715 0.84 RAB9A (0.61) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL12721852 0.84 NPC1 (0.61) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1
SCHEMBL9353698 0.84 MAPT (0.67) CYP1A2MAPK1CYP2D6CYP2C19L3MBTL1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309274-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-04-12 US claimed
US-20150007371-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-01-01 US claimed
US-8865890-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2014-10-21 US claimed
US-20140196180-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH & DEVELOPMENT COMPANY LTD. (IL) 2014-07-10 US claimed
US-20070258147-A1 Redox-active structures and devices utilizing the same YEDA RESEARCH & DEVELOPMENT CO., LTD. (IL) 2007-11-08 US claimed
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 US claimed
CN-118422223-A Method for electrochemically synthesizing 2-thiobenzothiazole compound 桂林医学院 2024-08-02 CN disclosed
CN-112174862-B Synthesis method of benzyl sulfide 成都理工大学 2022-07-12 CN disclosed
CN-112174862-A Synthesis method of benzyl sulfide 成都理工大学 2021-01-05 CN disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO disclosed
US-9309274-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-04-12 US disclosed
US-20150007371-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-01-01 US disclosed
US-8865890-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2014-10-21 US disclosed
US-5102457-A Protective coating consists of 2-benzylthiobenzothiazole or it's derivatives CIBA-GEIGY CORP. (US) 1992-04-07 US disclosed
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
EP-0394196-A1 Anti-corrosive coating compositions CIBA-GEIGY AG (CH) 1990-10-24 EP disclosed
WO-1990002126-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-08 WO disclosed
EP-0355827-A2 Hydantoin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
US-4250083-A A STYRENATED DIPHENYLAMINE PRESENT DURING EMULSION POLYMERIZATION FOLLOWED BY PEPTIZATION; STORAGE STABILITY DENKA CHEMICAL CORPORATION (US) 1981-02-10 US disclosed
US-4225682-A PEPTIZED DENKA CHEMICAL CORPORATION (US) 1980-09-30 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 (3 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-20140196180-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME GPX4, GPX1, LPO CYP1A2 1121/4885MAPK1 1355/4885CYP2D6 904/4885
US-20150007371-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME GPX4, GPX1, LPO CYP1A2 1121/4885MAPK1 1355/4885CYP2D6 904/4885
US-20070258147-A1 Redox-active structures and devices utilizing the same GPX4, GPX1, LPO CYP1A2 1121/4885MAPK1 1355/4885CYP2D6 904/4885

“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.