SCHEMBL3905925

SCHEMBL3905925

O=C(O)c1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.83
▸ ALDH1A1 P00352 4/20 0.83
▸ MAPK1 P28482 1/20 0.67
▸ USP2 O75604 1/20 0.65
▸ LMNA P02545 1/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ MLYCD O95822 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ MBTD1 Q05BQ5 3/20 0.58
▸ L3MBTL3 Q96JM7 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58

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
SCHEMBL70806 0.98 HPGD (0.79) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL3324989 0.94 HPGD (0.72) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL27479149 0.91 HPGD (1.00) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL7132525 0.91 HPGD (1.00) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL9133746 0.89 ALDH1A1 (0.64) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL10721733 0.89 HPGD (0.95) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL243236 0.85 HPGD (1.00) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL436090 0.85 HPGD (1.00) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL1927946 0.85 HPGD (1.00) HPGDALDH1A1MAPK1USP2LMNA
SCHEMBL27929296 0.85 HPGD (1.00) HPGDALDH1A1MAPK1USP2LMNA

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
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 — — EP claimed
CN-110099905-A SUBSTITUTED PYRAZOLOAZEPIN-8-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-06 — — CN claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 — — CN claimed
CN-115335043-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 — — CN disclosed
US-20240262820-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. 2024-08-08 — — US disclosed
US-11891389-B2 PGDH inhibitors and methods of making and using MYOFORTE THERAPEUTICS, INC. (US) 2024-02-06 — — US disclosed
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 — — CN disclosed
US-20230390274-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF MYOFORTE THERAPEUTICS, INC. 2023-12-07 — — US disclosed
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 — — EP disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 — — EP disclosed
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 — — CN disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 — — US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 — — US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 — — US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 — — US disclosed
EP-2857403-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-04-08 — — EP disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 — — EP disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 — — CN 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-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF PIK3CA, PIP4K2B, PIK3R5 HPGD 1804/4885ALDH1A1 1961/4885MAPK1 63/4885
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B HPGD 1759/4885ALDH1A1 1886/4885MAPK1 65/4885
US-11891389-B2 PGDH inhibitors and methods of making and using HPGD, HPGDS, PTGS1 HPGD 1/4885ALDH1A1 145/4885MAPK1 3440/4885
US-20240262820-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING HPGD, HPGDS, PTGS1 HPGD 1/4885ALDH1A1 183/4885MAPK1 3772/4885
US-20230390274-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF HPGD, HPGDS, GCDH HPGD 1/4885ALDH1A1 37/4885MAPK1 4510/4885

“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.

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