SCHEMBL459242

SCHEMBL459242

NNC(=O)/C=C/c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.70
HDAC3 O15379 2/20 0.70
HDAC4 P56524 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
MMP1 P03956 6/20 0.63
MMP2 P08253 6/20 0.63
MMP9 P14780 6/20 0.63
EGFR P00533 4/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
HTT P42858 1/20 0.62
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RECQL P46063 2/20 0.59
TNKS O95271 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59

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
SCHEMBL459244 1.00 HDAC2 (0.70) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL10742365 0.96 HDAC2 (0.66) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL10742359 0.96 HDAC2 (0.66) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL10742353 0.96 HDAC2 (0.66) HDAC2HDAC3HDAC4HDAC1HDAC8
Trifluoroacetic Acid SCHEMBL29399040 0.89 HDAC2 (0.58) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL31528739 0.89 MAPT (0.68) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL1325253 0.83 HDAC2 (1.00) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL4029206 0.83 HDAC2 (0.76) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL11704206 0.83 HDAC3 (0.76) HDAC2HDAC3HDAC4HDAC1HDAC8
SCHEMBL29060766 0.83 HDAC2 (0.76) HDAC2HDAC3HDAC4HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461705-A Dibenzo-azepine-dione anti-tumor compounds and preparation method thereof UNIV CHINA MEDICAL 2016-04-06 CN claimed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO claimed
US-20230157978-A1 APE/REF1 INHIBITORS FOR THE TREATMENT OF CANCER CHAPMAN UNIVERSITY 2023-05-25 US disclosed
WO-2022187849-A1 SALINOMYCIN DERIVATIVES AND USES THEREOF HILLSTREAM BIOPHARMA, INC. (US) 2022-09-09 WO disclosed
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
WO-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed
CN-110684002-B Acylhydrazone fluoride ion probe based on flavone 南京林业大学 2022-02-08 CN disclosed
WO-2021055506-A1 ANTIMICROBIAL AGENTS AND COMPOSITIONS AND USES THEREOF CHEMIC LABORATORIES, INC. (US) 2021-03-25 WO disclosed
CN-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
WO-2020264581-A1 BORON CONTAINING COMPOUNDS AND THEIR USES Boragen, Inc. (US) 2020-12-30 WO disclosed
WO-2020264581-A1 BORON CONTAINING COMPOUNDS AND THEIR USES Boragen, Inc. (US) 2020-12-30 WO disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2013-06-27 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
WO-2012032257-A1 NOVEL GUANIDINE DERIVATIVES IN THE CINNAMIC SERIES PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2012-03-15 WO disclosed
CN-1089755-C Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN SPA (IT) 2002-08-28 CN disclosed
US-4065565-A Acylhydrazones and anti-psychotic compositions thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-27 US disclosed
US-4065635-A ETHYLENE-PROPYLENE COPOLYMER, DISUBSTITUTED HYDRAZINE DART INDUSTRIES, INC. (US) 1977-12-27 US disclosed
US-4052362-A N-CINNAMOYL-N'-ACYLHYDRAZINES UBE INDUSTRIES, LTD. (JA) 1977-10-04 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 (3 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-20130165507-A1 NEW GUANIDINE DERIVATIVES IN CINNAMIC SERIES GMPS, UNG, AGER HDAC2 3350/4885HDAC3 4240/4885HDAC4 3194/4885
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC2 4243/4885HDAC3 2208/4885HDAC4 3300/4885
US-20230157978-A1 APE/REF1 INHIBITORS FOR THE TREATMENT OF CANCER APEX1, AP1G1, AP1M1 HDAC2 1117/4885HDAC3 2293/4885HDAC4 1265/4885

“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.