SCHEMBL4082910

SCHEMBL4082910

O=[N+]([O-])c1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 7/20 0.68
MAPT P10636 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP19A1 P11511 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HIF1A Q16665 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MLNR O43193 1/20 0.53
MMP1 P03956 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL22530079 0.91 HSPB1 (0.65) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL27859313 0.90 HSPB1 (0.82) HSPB1MAPTMEN1KMT2AMAPK1
SCHEMBL28844701 0.87 MAPT (0.57) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL31287841 0.87 HSPB1 (0.82) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL15820188 0.85 HSPB1 (0.80) HSPB1MAPTMEN1KMT2AMAPK1
SCHEMBL4729747 0.84 HSPB1 (0.64) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL22069708 0.84 HSPB1 (0.68) HSPB1MAPTMEN1KMT2AHIF1A
SCHEMBL22069702 0.84 HSPB1 (0.68) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL29351876 0.84 HSPB1 (0.68) HSPB1MAPTMEN1KMT2ALMNA
SCHEMBL3131710 0.84 HSPB1 (0.68) HSPB1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
CN-110483366-B Indole compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-12-30 US disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
US-20180237397-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-08-23 US disclosed
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
EP-3080098-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-12-06 EP disclosed
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
US-20140045833-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2014-02-13 US disclosed
WO-2012135944-A9 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2014-01-09 WO disclosed
WO-2012135944-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2012-10-11 WO disclosed
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
US-7294616-B2 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. (US) 2007-11-13 US disclosed
WO-2006052499-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2006-05-18 WO disclosed
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. 2006-05-04 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 (7 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 HSPB1 4594/4885MAPT 2830/4885MEN1 1484/4885
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA HSPB1 1429/4885MAPT 2831/4885MEN1 4237/4885
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HSPB1 4474/4885MAPT 1449/4885MEN1 1218/4885
US-20140045833-A1 Protein Kinase Inhibitors LCK, BTK, TEC HSPB1 888/4885MAPT 3381/4885MEN1 4481/4885
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B HSPB1 888/4885MAPT 741/4885MEN1 450/4885
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials SPOUT1, CAPRIN1, FBL HSPB1 2147/4885MAPT 834/4885MEN1 3179/4885
US-20180237397-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 HSPB1 4426/4885MAPT 1526/4885MEN1 1839/4885

“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.