SCHEMBL2759631

SCHEMBL2759631

CCC(=O)Nc1ccccc1N

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.66
HDAC1 Q13547 15/20 0.66
HDAC2 Q92769 14/20 0.66
HDAC10 Q969S8 9/20 0.66
HDAC6 Q9UBN7 8/20 0.66
HDAC4 P56524 8/20 0.66
HDAC7 Q8WUI4 7/20 0.66
HDAC11 Q96DB2 7/20 0.66
HDAC8 Q9BY41 7/20 0.66
HDAC9 Q9UKV0 7/20 0.66
HDAC5 Q9UQL6 7/20 0.66
NCOR2 Q9Y618 6/20 0.66
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30832969 1.00 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL25248640 0.86 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL8619629 0.86 MAPK1 (0.60) MAPK1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11719473 0.85 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC6
Hydrochloric Acid SCHEMBL8957362 0.84 HDAC3 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL27599377 0.83 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL7789440 0.82 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL16329196 0.82 HDAC3 (0.68) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL29209745 0.82 ALDH1A1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL27736940 0.82 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2024-05-14 US disclosed
CN-111683662-B Substituted pyrimidine compounds, pharmaceutical compositions and methods of treatment 陈志宏 2024-04-02 CN disclosed
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2023-04-13 US disclosed
EP-3675860-B1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2023-03-08 EP disclosed
US-11440904-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof CHEN ZHIHONG (US) 2022-09-13 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
EP-3400210-B1 \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER UNIV PARIS SACLAY (FR) 2021-09-29 EP disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-11014871-B2 “Multi-target” compounds with inhibitory activity towards histone deacetylases and tubulin polymerisation, for use in the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-05-25 US disclosed
CN-111683662-A Substituted pyrimidines, pharmaceutical compositions and methods of treatment 陈志宏 2020-09-18 CN disclosed
US-4757136-A Water-soluble Azo compounds containing fiber-reactive groups and having a sulfo-naphthol coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4740592-A Water-soluble azo compounds containing fiber-reactive groups and having a sulfo-naphthal coupling component with a triazinylamino substituent suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
EP-0218131-A1 Water soluble azo compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed
US-4018814-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-4013676-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-3996247-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed
US-3965087-A Trisazo dye containing a diphenylenesulfone structure SAKAI CHEMICAL INDUSTRY COMPANY LTD. (JA) 1976-06-22 US disclosed
US-3951941-A POLYAZODYE SAKAI CHEMICAL INDUSTRY COMPANY, LIMITED (JA) 1976-04-20 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 (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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 HDAC3 418/4885HDAC1 228/4885HDAC2 293/4885
US-20230109688-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK HDAC3 2190/4885HDAC1 2735/4885HDAC2 1615/4885
US-11981665-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK HDAC3 2190/4885HDAC1 2735/4885HDAC2 1615/4885
US-11440904-B2 Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof BTK, PTK2, LCK HDAC3 2190/4885HDAC1 2735/4885HDAC2 1615/4885
US-11014871-B2 “Multi-target” compounds with inhibitory activity towards histone deacetylases and tubulin polymerisation, for use in the treatment of cancer HDAC6, HDAC1, HDAC5 HDAC3 6/4885HDAC1 2/4885HDAC2 10/4885

“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.