SCHEMBL4093253

SCHEMBL4093253

Nc1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NLRP3 Q96P20 1/20 0.47
HRH1 P35367 1/20 0.46
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22529940 0.90 NCOA1 (0.51) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL21104547 0.88 ALDH1A1 (0.52) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL632026 0.85 MAOA (0.52) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL31287801 0.85 HSPB1 (0.50) MAOBCYP3A4MEN1KMT2ANCOA1
SCHEMBL3024118 0.85 HSPB1 (0.50) MAOBCYP3A4MEN1KMT2ANCOA1
SCHEMBL30059265 0.83 MEN1 (0.40) CYP3A4MEN1KMT2AMAPTALDH1A1
SCHEMBL25968454 0.83 MEN1 (0.40) CYP3A4MEN1KMT2AMAPTALDH1A1
SCHEMBL8543828 0.83 SMN1; SMN2 (0.46) MAOAMAOBCYP1A2CYP3A4CYP2C9
SCHEMBL15821714 0.82 MEN1 (0.54) MEN1KMT2ASLC6A4PARP10
SCHEMBL28693466 0.82 GAA (0.57) MAOACYP1A2CYP3A4MEN1KMT2A

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 74 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-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
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO 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
CN-1182123-C Substituted bicyclic derivatives useful as anticancer agents �Ʒ� 2004-12-29 CN disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 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 (6 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 MAOA 2918/4885MAOB 2762/4885CYP1A2 766/4885
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 MAOA 1589/4885MAOB 976/4885CYP1A2 114/4885
US-20210403456-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF EPILEPSY SLC6A11, SCN1A, SCN1B MAOA 1869/4885MAOB 1637/4885CYP1A2 203/4885
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials SPOUT1, CAPRIN1, FBL MAOA 1940/4885MAOB 1344/4885CYP1A2 3096/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 MAOA 2918/4885MAOB 2762/4885CYP1A2 766/4885
US-20180237397-A1 PYRAZOLE DERIVATIVES AS ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 MAOA 1039/4885MAOB 697/4885CYP1A2 728/4885

“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.