SCHEMBL3974015

SCHEMBL3974015

O=C1NCCCc2ccsc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PNMT P11086 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
OR51E2 Q9H255 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PDPK1 O15530 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
CES1 P23141 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
SCHEMBL390083 0.89 PARP10 (0.46) PNMTNOS3NOS2HRH1HRH4
SCHEMBL9336427 0.78 PNMT (0.37) ALDH1A1PNMTNOS3NOS2GAA
SCHEMBL161158 0.76
SCHEMBL12483381 0.72 NOS3 (0.41) TSHRPNMTNOS3NOS2HRH1
SCHEMBL9923686 0.72
SCHEMBL631537 0.72 MAOA (0.42) TSHRALDH1A1PNMTNOS3NOS2
SCHEMBL8195075 0.72 USP2 (0.42) ALDH1A1NOS2OR51E2PDPK1PARP1
SCHEMBL504352 0.71 GSK3B (0.40) ALDH1A1CDK1MAPKAPK2HRH1HRH4
Hydrochloric Acid SCHEMBL30018400 0.71 PNMT (0.41) ALDH1A1PNMTOR51E2GAAKDM4E
SCHEMBL21584043 0.69 FABP6 (0.45) TSHRALDH1A1NOS3NOS2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. 2024-12-03 US disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-07-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
CN-110511220-B P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine 上海挚盟医药科技有限公司 2022-04-01 CN disclosed
US-20210163429-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2021-06-03 US disclosed
US-20210163429-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2021-06-03 US disclosed
EP-3798220-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF Shanghai Zhimeng Biopharma, Inc. (CN) 2021-03-31 EP disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5321021-A Tricyclic pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 1994-06-14 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed
EP-0318682-B1 TRICYCLIC THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-03-31 EP disclosed
US-5036066-A Muscle relaxants, anxiolytic agents, anticonvulsants HOFFMANN-LA ROCHE INC. (US) 1991-07-30 US disclosed
EP-0183994-B1 TRICYCLIC PYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1990-03-21 EP disclosed
US-4889848-A 4-OXO-4H-BENZO(A)QUINOLIZINES; MUSCLE RELAXANTS; SEDATIVES; ANTICONVULSANTS; ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-12-26 US disclosed
EP-0318682-A2 Tricyclic thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-06-07 EP disclosed
US-4735940-A Tricyclic pyridine derivatives and pharmaceutical compositions HOFFMANN-LA ROCHE INC. (US) 1988-04-05 US disclosed
EP-0183994-A1 Tricyclic pyridone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1986-06-11 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 (4 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-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 TSHR 1830/4885ALDH1A1 1733/4885CDK1 4214/4885
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF KCNJ2, KCNN2, KCNH2 TSHR 1830/4885ALDH1A1 1733/4885CDK1 4214/4885
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 TSHR 1799/4885ALDH1A1 1705/4885CDK1 4157/4885
US-20210163429-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF KCNJ2, KCNN2, KCNH2 TSHR 1799/4885ALDH1A1 1705/4885CDK1 4157/4885

“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.