Sugi Predict

Sugi Predict / Compounds / SCHEMBL617121

SCHEMBL617121

SCHEMBL617121

O=[N+]([O-])c1ccc2sc(Cl)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ACP1 P24666 1/20 0.50
▸ PDK1 Q15118 1/20 0.49
▸ TXNRD1 Q16881 1/20 0.49
▸ TXNRD3 Q86VQ6 1/20 0.49
▸ TXNRD2 Q9NNW7 1/20 0.49
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 5/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ MMP13 P45452 2/20 0.44
▸ APP P05067 1/20 0.44

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
SCHEMBL146922 0.87 SMN1; SMN2 (0.67) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
Water SCHEMBL27718168 0.85 SMN1; SMN2 (0.65) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL23926457 0.81 RIPK1 (0.53) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL482233 0.80 ALDH1A1 (0.77) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL2002714 0.80 RIPK1 (0.52) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL31219335 0.80 ALDH1A1 (0.77) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL29361660 0.80 RIPK1 (0.52) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL84324 0.80 SMN1; SMN2 (0.77) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL2248504 0.77 APP (0.52) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL2708797 0.76 PDK1 (0.60) RIPK1ALDH1A1HTTSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024238406-A1 FUROPYRIDINE COMPOUNDS AS P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-11-21 — — WO disclosed
CN-117843579-A Benzo heterocycle coupled catechol derivative and preparation method and application thereof 暨南大学 2024-04-09 — — CN disclosed
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — WO disclosed
CN-107743483-B NADPH oxidase 4 inhibitors 埃科特莱茵药品有限公司 2022-01-28 — — CN disclosed
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 — — US disclosed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 — — US disclosed
EP-3310767-B1 2,5-DISUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AS NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-07-22 — — EP disclosed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 — — US disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 — — US disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 — — EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 — — EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 — — US disclosed
EP-0060426-B1 N-(2,2,2-TRIFLUOROETHYL)-N-ALKYL-AZOLYLOXYACETIC-ACID AMIDES, THEIR PREPARATION AND USE AS HERBICIDES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AG (DE) 1986-04-23 — — EP disclosed
US-4465504-A Herbicidally active novel N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic acid amides and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1984-08-14 — — US disclosed
US-4455428-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 — — US disclosed
US-4408055-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-10-04 — — US disclosed
EP-0081730-A1 Process for the preparation of hetaryloxyacetamides BAYER AG (DE) 1983-06-22 — — EP disclosed
US-4378362-A CARDIOVASCULAR DISORDERS S.A. LABAZ N.V. (BE) 1983-03-29 — — US disclosed
EP-0060426-A2 N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic-acid amides, their preparation and use as herbicides and intermediates for their preparation BAYER AG (DE) 1982-09-22 — — EP 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 (5 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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 RIPK1 1129/4885ALDH1A1 4330/4885HTT 4372/4885
US-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB RIPK1 2805/4885ALDH1A1 176/4885HTT 4546/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB RIPK1 2805/4885ALDH1A1 176/4885HTT 4546/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB RIPK1 2805/4885ALDH1A1 176/4885HTT 4546/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB RIPK1 2805/4885ALDH1A1 176/4885HTT 4546/4885

“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.