SCHEMBL3511079

SCHEMBL3511079

COc1ccc(SC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP1B1 Q16678 4/20 0.50
CA2 P00918 2/20 0.50
ACHE P22303 1/20 0.50
GAA P10253 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8425777 0.84 PDE4A (0.47) GAASMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL18888305 0.84 GAA (0.50) CYP1A1CYP1A2CYP1B1GAALMNA
SCHEMBL30832957 0.83 CA2 (0.52) CYP1A2CA2ACHECA12CA1
SCHEMBL7859196 0.83 CA2 (0.52) CYP1A2CA2ACHECA12CA1
SCHEMBL5114151 0.83 CA2 (0.52) CYP1A2CA2ACHECA12CA1
SCHEMBL20457989 0.82 GAA (0.45) CYP1A1CYP1A2CYP1B1GAALMNA
SCHEMBL23980770 0.82 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1CA2GAA
SCHEMBL8863279 0.82 L3MBTL1 (0.49) CYP1A1CYP1A2CYP1B1GAALMNA
SCHEMBL6684382 0.82 L3MBTL1 (0.45) CYP1A1CYP1A2CYP1B1ACHEGAA
SCHEMBL2089252 0.82 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109342391-B Tyrosinase activity detection method based on recyclable SERS sensor 华东理工大学 2021-03-30 CN claimed
CN-109342391-A Based on the tyrosinase activity detection method that SERS sensor can be recycled 华东理工大学 2019-02-15 CN claimed
WO-2023159153-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-24 WO disclosed
US-20210340147-A1 2,6-DIMETHYL-N-((PYRIDlN-4-YL)METHYL)IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE AND 2,5-DIMETHYL-N-[(PYRIDlN-4-YL)METHYL]PYRAZOLO[1,5-A]PYRIMIDlN-7-AMINE DERIVATIVES FOR TREATING VIRAL INFECTIONS CUROVIR AB (SE) 2021-11-04 US disclosed
CN-109342391-B Tyrosinase activity detection method based on recyclable SERS sensor 华东理工大学 2021-03-30 CN disclosed
US-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES ARTAX BIOPHARMA INC. 2020-04-30 US disclosed
CN-109342391-A Based on the tyrosinase activity detection method that SERS sensor can be recycled 华东理工大学 2019-02-15 CN disclosed
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
US-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
EP-0655992-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-4120866-A REACTING AN AROMATIC COMPOUND WITH A SULFOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-17 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-20210340147-A1 2,6-DIMETHYL-N-((PYRIDlN-4-YL)METHYL)IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE AND 2,5-DIMETHYL-N-[(PYRIDlN-4-YL)METHYL]PYRAZOLO[1,5-A]PYRIMIDlN-7-AMINE DERIVATIVES FOR TREATING VIRAL INFECTIONS NSUN2, EIF2AK2, METTL16 CYP1A1 2287/4885CYP1A2 1355/4885CYP1B1 1668/4885
US-20200131125-A1 ARYL-PIPERIDINE DERIVATIVES CD4, CD2, CCR1 CYP1A1 249/4885CYP1A2 514/4885CYP1B1 407/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A1 4/4885CYP1A2 18/4885CYP1B1 8/4885

“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.