SCHEMBL424317

SCHEMBL424317

Cc1ccc2c(C)csc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.48
LMNA P02545 2/20 0.43
CYP1A2 P05177 3/20 0.39
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 6/20 0.36
TP53 P04637 3/20 0.36
CA2 P00918 1/20 0.36
THRB P10828 2/20 0.35
USP2 O75604 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL423281 0.82 CYP2A6 (0.64) CYP2A6LMNACYP1A2ALDH1A1MAPT
SCHEMBL10947995 0.80 LMNA (0.42) CYP2A6LMNACYP1A2BCL2L1MCL1
SCHEMBL16479958 0.79 CYP2A6 (0.43) CYP2A6LMNACYP1A2ALDH1A1KDM4E
SCHEMBL2092747 0.78 CYP2A6 (0.71) CYP2A6LMNAMCL1MAPTTP53
SCHEMBL5179107 0.78 MAPT (0.54) CYP2A6LMNABCL2L1MCL1ALDH1A1
SCHEMBL13950998 0.78 CYP2A6 (0.46) CYP2A6LMNAALDH1A1KDM4EHPGD
SCHEMBL422469 0.78 BCL2L1 (0.42) CYP2A6LMNACYP1A2BCL2L1MCL1
SCHEMBL2095399 0.78 CYP2A6 (0.46) CYP2A6LMNAALDH1A1KDM4EMAPT
SCHEMBL165522 0.78 CYP2A6 (0.46) CYP2A6LMNAALDH1A1HPGDHSD17B10
SCHEMBL2092120 0.78 CYP2A6 (0.46) CYP2A6ALDH1A1HSD17B10MAPTCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046615-A1 BIOMASS-BASED PESTICIDES AND METHODS OF MAKING THE SAME UNITED STATES DEPARTMENT OF ENERGY 2023-02-16 US claimed
WO-2021127612-A1 BIOMASS-BASED PESTICIDES AND METHODS OF MAKING THE SAME ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2021-06-24 WO claimed
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
WO-2023238764-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT 住友化学株式会社 2023-12-14 WO disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
US-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 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-20230046615-A1 BIOMASS-BASED PESTICIDES AND METHODS OF MAKING THE SAME GHRHR, HCRTR1, CBR3 CYP2A6 684/4885LMNA 1680/4885CYP1A2 206/4885
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 CYP2A6 565/4885LMNA 3720/4885CYP1A2 121/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 CYP2A6 1111/4885LMNA 2377/4885CYP1A2 1655/4885

“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.