SCHEMBL6090116

SCHEMBL6090116

O=C1CCc2cccc(Br)c2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
CYP19A1 P11511 2/20 0.49
SRD5A1 P18405 2/20 0.42
AHR P35869 1/20 0.42
PDE7A Q13946 4/20 0.39
MAPT P10636 1/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CRBN Q96SW2 1/20 0.37
MAOA P21397 2/20 0.37

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
SCHEMBL837443 0.82 AHR (0.61) CYP11B1CYP11B2CYP19A1AHRPDE7A
SCHEMBL2675583 0.77 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2230502 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1764695 0.77 AHR (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29410901 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL434004 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3593737 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3593739 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL29961795 0.76 NPC1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL30293224 0.76 SRD5A1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676590-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS Zoetis Services LLC (US) 2026-01-14 EP disclosed
WO-2024191714-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS ZOETIS SERVICES LLC (US) 2024-09-19 WO disclosed
US-20240308973-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS ZOETIS SERVICES LLC 2024-09-19 US disclosed
CN-111587239-B Method for producing lactam compound and lactam compound produced by the method 基础科学研究院 2024-04-02 CN disclosed
US-11332443-B2 Derivatives of halo quinabactin THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-17 US disclosed
CN-108349899-B Derivatives of halogenated quinacrycins 加利福尼亚大学董事会 2021-10-22 CN disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 US disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 US disclosed
WO-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed
WO-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 WO disclosed
US-20180312470-A1 DERIVATIVES OF HALO QUINABACTIN SYNGENTA PARTICIPATIONS AG (CH) 2018-11-01 US disclosed
EP-3341361-A1 DERIVATIVES OF HALO QUINABACTIN The Regents of The University of California (US) 2018-07-04 EP disclosed
WO-2017034982-A1 DERIVATIVES OF HALO QUINABACTIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-02 WO disclosed
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP disclosed
WO-2004108678-A1 (1,2,3,4-TETRAHYDROQUINOLIN-8-YL)-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-6734193-B1 REDUCE SERUM GLUCOSE AND SERUM TRIGLYCERIDE LEVELS IN DIABETIC MAMMALS WITHOUT THE UNDESIRABLE PROPERTIES OF REDUCING SERUM THYROXINE LEVELS AND TRANSIENTLY RAISING TRIGLYCERIDE LEVELS ALLERGAN, INC. 2004-05-11 US disclosed
US-4349554-A Method of using carbostyril derivatives as plant fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-14 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 (6 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 NPC1 3249/4885MAPK13 756/4885MAPK12 868/4885
US-20240308973-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS PDE3A, PDE3B, PDE5A NPC1 3471/4885MAPK13 997/4885MAPK12 2189/4885
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY SQLE, COASY, DHPS NPC1 3709/4885MAPK13 4250/4885MAPK12 3592/4885
US-20180312470-A1 DERIVATIVES OF HALO QUINABACTIN HDHD5, HSF1, NQO2 NPC1 3742/4885MAPK13 2013/4885MAPK12 1196/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS NPC1 3709/4885MAPK13 4250/4885MAPK12 3592/4885
US-11332443-B2 Derivatives of halo quinabactin HDHD5, HSF1, NQO2 NPC1 3742/4885MAPK13 2013/4885MAPK12 1196/4885

“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.