SCHEMBL3100795

SCHEMBL3100795

CC(=O)c1cnccc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
SIRT3 Q9NTG7 1/20 0.68
CYP17A1 P05093 1/20 0.45
TYK2 P29597 1/20 0.44
HASPIN Q8TF76 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KDM4C Q9H3R0 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KDM4D Q6B0I6 1/20 0.39

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
SCHEMBL29496054 1.00 TDP1 (0.68) TDP1SIRT3CYP17A1TYK2HASPIN
SCHEMBL1885868 0.83 TDP1 (0.52) TDP1SIRT3CYP17A1TYK2HASPIN
SCHEMBL258230 0.83 TDP1 (0.68) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL29571308 0.83 TDP1 (0.68) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL28317597 0.82 TDP1 (0.50) TDP1SIRT3HASPINROCK2ROCK1
SCHEMBL1265706 0.81 SIRT3 (1.00) TDP1SIRT3SMYD3KDM4CL3MBTL1
SCHEMBL29682389 0.81 SIRT3 (1.00) TDP1SIRT3SMYD3KDM4CL3MBTL1
Hydrochloric Acid SCHEMBL1536025 0.81 TDP1 (0.66) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL9504678 0.81 TDP1 (0.66) TDP1SIRT3KDM4CL3MBTL1KDM4E
SCHEMBL6180804 0.81 TDP1 (0.66) TDP1SIRT3CYP17A1TYK2SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
US-20230235300-A1 Transaminase Mutant And Use Thereof ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-07-27 US disclosed
US-20230235300-A1 Transaminase Mutant And Use Thereof ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-07-27 US disclosed
WO-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 WO disclosed
WO-2023081841-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
EP-4144837-A1 TRANSAMINASE MUTANT AND USE THEREOF Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2023-03-08 EP disclosed
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 US disclosed
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
WO-2003027107-A1 SUBSTITUTED 3-PYRIDYL OXAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027096-A1 SUBSTITUTED 3-PYRIDYL IMIDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003027101-A1 SUBSTITUTED 3-PYRIDYL PYRROLES AND 3-PYRIDYL PYRAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 WO disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
US-4127583-A Preparation of 3-(pyridinyl)-2-cyclohexene-1-ones STERLING DRUG INC. (US) 1978-11-28 US disclosed
US-4111946-A Preparation of 3-(pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4075217-A Conversion of 3-(pyridinyl)-2-cyclohexen-1-one to 3-(pyridinyl)anilines STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4026900-A 3-(Pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1977-05-31 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 (2 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-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 TDP1 3575/4885SIRT3 2754/4885CYP17A1 174/4885
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 TDP1 3645/4885SIRT3 2815/4885CYP17A1 3544/4885

“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.