Sugi Predict

Sugi Predict / Compounds / SCHEMBL1095490

SCHEMBL1095490

SCHEMBL1095490

O=C(Cl)c1ccc2sc(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HDAC6 Q9UBN7 5/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ PPARA Q07869 5/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL1095256 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHSD17B10MEN1
SCHEMBL11147962 0.86 NPC1 (0.68) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
SCHEMBL1748371 0.85 NPC1 (0.49) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
SCHEMBL7492503 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
Hydrochloric Acid SCHEMBL11215209 0.85 NPC1 (0.66) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
SCHEMBL11596604 0.83 NPC1 (0.50) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
SCHEMBL24124671 0.81 NPC1 (0.76) SMN1; SMN2NPC1RAB9ATRPV1HSD17B10
SCHEMBL1748272 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
SCHEMBL1121389 0.81 NPC1 (0.50) SMN1; SMN2NPC1RAB9AHDAC6HDAC1
SCHEMBL31630664 0.77 NPC1 (0.52) SMN1; SMN2NPC1RAB9AHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 — — US disclosed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 — — EP disclosed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 — — WO disclosed
US-8580968-B2 Benzothiazole and benzooxazole derivatives and methods of use ABBVIE INC. (US) 2013-11-12 — — US disclosed
EP-1084124-A1 BENZOTHIAZOLYTHIOMETHYL CARBAPENEM ANTIBACTERIAL Merck & Co., Inc. (US) 2001-03-21 — — EP disclosed
WO-1999062906-A1 BENZOTHIAZOLYTHIOMETHYL CARBAPENEM ANTIBACTERIAL MERCK & CO., INC. (US) 1999-12-09 — — WO disclosed
EP-0750620-A4 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 1997-07-16 — — EP disclosed
EP-0750620-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO. INC. (US) 1997-01-02 — — EP disclosed
US-5496816-A Carbapenem antibacterial compounds, compositions containing such compounds and methods of treatment MERCK & CO., INC. (US) 1996-03-05 — — US disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 — — WO disclosed
US-4398913-A ALKALINE PASTES CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-16 — — US disclosed
US-4204056-A Process and intermediates for preparing fiber-reactive phthalocyanine dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1980-05-20 — — US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 — — US disclosed
US-4128544-A DYES FOR NATURAL OR REGENERATED CELLULOSE SANDOZ LTD. (CH) 1978-12-05 — — 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 (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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB SMN1; SMN2 3582/4885NPC1 3120/4885RAB9A 2128/4885

“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.