Sugi Predict

Sugi Predict / Compounds / SCHEMBL4460481

SCHEMBL4460481

SCHEMBL4460481

CSc1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ SCN4A P35499 4/20 0.40
▸ TRPA1 O75762 2/20 0.38
▸ CD44 P16070 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33

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
SCHEMBL2320126 0.84 CYP2A6 (0.38) CYP2A6CYP1A2TSHRACHEALDH1A1
Ammonia Solution, Strong SCHEMBL6855349 0.82 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
Ammonia Solution, Strong SCHEMBL7609958 0.82 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL28762438 0.82 LMNA (0.37) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL23328219 0.82 ALDH1A1 (0.38) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL24249857 0.82 ALDH1A1 (0.50) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL6735223 0.82 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
Ammonia Solution, Strong SCHEMBL4446667 0.82 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL22564870 0.82 ACHE (0.50) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL28762439 0.82 SCN4A (0.38) CYP2A6CYP1A2TSHRACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170908-B Synthesis method of 2, 4-dimethyl-3-methylsulfonyl halogeno-benzene 北京印刷学院 2021-08-17 — — CN claimed
CN-111170908-A Synthesis method of 2, 4-dimethyl-3-methylsulfonyl halogeno-benzene 北京印刷学院 2020-05-19 — — CN claimed
WO-2022183008-A9 AMINO-BENZIMIDAZOLE CATALYSTS FOR THE PREPARATION OF POLYOLEFINS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-10-12 — — WO disclosed
CN-111170908-B Synthesis method of 2, 4-dimethyl-3-methylsulfonyl halogeno-benzene 北京印刷学院 2021-08-17 — — CN disclosed
CN-111170908-A Synthesis method of 2, 4-dimethyl-3-methylsulfonyl halogeno-benzene 北京印刷学院 2020-05-19 — — CN disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 — — WO disclosed
CN-106660951-B Herbicidally active N- (1-methyltetrazol-5-yl) benzoic acid amides 拜耳作物科学股份公司 2019-02-26 — — CN disclosed
EP-2759543-B1 CHROMENE COMPOUND AND CURABLE COMPOSITION TOKUYAMA CORP (JP) 2017-07-19 — — EP disclosed
EP-3078662-A1 PYRIDIN-2-YL-AMINO-1,2,4-THIADIAZOLE DERIVATIVES AS GLUCOKINASE ACTIVATORS FOR THE TREATMENT OF DIABETES MELLITUS Array Biopharma, Inc. (US) 2016-10-12 — — EP disclosed
US-20160075732-A1 RADICAL ORBITAL SWITCHING THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2016-03-17 — — US disclosed
EP-2727910-B1 Pyridin-2-yl-thiourea and Pyridin-2-yl-amine derivatives as intermediates for the preparation of Pyridin-2yl-amino-1,2,4-thiadiazole glucokinase activators ARRAY BIOPHARMA INC (US) 2016-03-16 — — EP disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 — — US disclosed
US-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same GENFIT (FR) 2008-03-06 — — US disclosed
CN-1930122-A 1, 3-diphenylprop-2-en-1-one derivative compound, preparation method and application thereof GENFIT (FR) 2007-03-14 — — CN disclosed
US-7160335-B2 Anthraquinone dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-09 — — US disclosed
US-7160335-B2 Anthraquinone dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-09 — — US disclosed
EP-1701938-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME Genfit (FR) 2006-09-20 — — EP disclosed
WO-2005073184-A1 1,3-DIPHENYLPROP-2-EN-1-ONE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME GENFIT (FR) 2005-08-11 — — WO disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 — — EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 — — 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-20080058412-A1 1,3-Diphenylprop-2-En-1-One Derivative Compounds, Preparation Method Thereof and Uses of Same TYR, DHPS, DDT CYP2A6 855/4885CYP1A2 137/4885TSHR 4505/4885
US-20160075732-A1 RADICAL ORBITAL SWITCHING RAD1, RAD54L, NQO1 CYP2A6 1391/4885CYP1A2 1710/4885TSHR 2182/4885

“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.