SCHEMBL2632670

SCHEMBL2632670

CCC(=O)c1ccc(C)nc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 2/20 0.50
MAPT P10636 4/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
HCAR3 P49019 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL27386679 0.85 HSD17B3 (0.53) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL15136337 0.82 HDAC1 (0.55) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL641907 0.82 GSK3B (0.57) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL15920457 0.82 HDAC1 (0.55) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL13706438 0.82 HDAC1 (0.55) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL14683904 0.82 HDAC1 (0.55) HDAC1HDAC6KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL3231047 0.81 HDAC1 (0.53) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL10812902 0.81 HDAC1 (0.58) HDAC1HDAC6KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL9672401 0.81 HDAC1 (0.53) HDAC1HDAC6KDM4EMAPTKMT2A
SCHEMBL15088738 0.80 MAPT (0.46) KDM4EMAPTKMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102731374-A Improved process for preparing 1-(6-methylpyridin-3-yl)-2-[4-(methylsulfonyl)phenyl]ethanone, an intermediate of etoricoxib ITALIANA SINT SPA 2012-10-17 CN claimed
WO-2024057277-A1 DIAGNOSTIC PET IMAGING OF CARDIAC AMYLOIDOSIS Beijing Lado Technology Co., Ltd. (CN) 2024-03-21 WO disclosed
US-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-21 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
CN-105566324-A Hydroxyl purine compound and application thereof GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-05-11 CN disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
WO-2011038161-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 EP disclosed
US-7763617-B2 Pyrazolopyridine-4-yl pyridazinone derivatives and addition salts thereof, and PDE inhibitors comprising the same derivatives or salts as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
EP-2069302-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2009-06-17 EP disclosed
EP-1987831-A1 COMPOUNDS EFFECTING GLUCOKINASE AstraZeneca AB (SE) 2008-11-05 EP disclosed
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
WO-2008032204-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-03-20 WO 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-20230295108-A1 ARYLTETRAHYDROPYRIDINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF TRPA1, DDT, HPD HDAC1 177/4885HDAC6 192/4885KDM4E 773/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC1 4373/4885HDAC6 3551/4885KDM4E 1637/4885
US-20080207902-A1 Pyrazolopyridine-4-Yl Pyridazinone Derivatives and Addition Salts Thereof, and Pde Inhibitors Comprising the Same Derivatives or Salts as Active Ingredient PDE5A, PDE3A, PDE3B HDAC1 175/4885HDAC6 422/4885KDM4E 436/4885
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS CNR1, CNR2, HCAR3 HDAC1 2533/4885HDAC6 3730/4885KDM4E 3355/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HDAC1 1593/4885HDAC6 260/4885KDM4E 3714/4885

“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.