SCHEMBL829563

SCHEMBL829563

O=Cc1c(F)cccc1I

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFE2L2 Q16236 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
IKBKB O14920 1/20 0.37
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
MDM4 O15151 1/20 0.33
MAPT P10636 1/20 0.33
MDM2 Q00987 1/20 0.33
KCNH2 Q12809 2/20 0.32
MAT2A P31153 1/20 0.32
PARP1 P09874 1/20 0.32
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL6902686 0.83 ALDH1A1 (0.48) ERN1KMT2AALDH1A1MEN1TDP1
SCHEMBL95708 0.83 ERN1 (0.50) ERN1KMT2AALDH1A1MEN1TDP1
SCHEMBL12801464 0.77 NFE2L2 (0.39) TDP1NFE2L2ABCG2IKBKBCES2
SCHEMBL652253 0.74 ERN1 (0.59) ERN1KMT2AALDH1A1MEN1TDP1
SCHEMBL5153352 0.74 MEN1 (0.48) ERN1KMT2AALDH1A1MEN1TDP1
SCHEMBL913980 0.73 ERN1 (0.52) ERN1KMT2AALDH1A1MEN1TDP1
SCHEMBL953519 0.73 ALDH1A1 (0.70) KMT2AALDH1A1MEN1TDP1MAPT
SCHEMBL11992946 0.73 CYP2C9 (0.41) ERN1KMT2AALDH1A1MEN1TDP1
SCHEMBL13456108 0.73 TDP1 (0.39) KMT2AALDH1A1MEN1TDP1PARP1
SCHEMBL62458 0.73 MAOB (0.46) ERN1KMT2AALDH1A1MEN1TDP1

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
EP-3102207-B1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY SCIENCE TECH & RES (SG) 2022-05-11 EP disclosed
WO-2022070992-A1 METHOD FOR PRODUCING FLUORINATED AROMATIC ALDEHYDE 東レ株式会社 2022-04-07 WO disclosed
WO-2021079962-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF HEARING LOSS 国立大学法人大阪大学 2021-04-29 WO disclosed
US-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-15 US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 US disclosed
EP-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
EP-3102207-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS Agency For Science, Technology And Research (SG) 2016-12-14 EP disclosed
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
WO-2015119579-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-08-13 WO disclosed
EP-2758397-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
EP-1153909-A2 Ortho-substituted benzaldehydes, process for their preparation, and their use Clariant GmbH (DE) 2001-11-14 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
EP-0769905-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1997-05-02 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
WO-1996002138-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP 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 (2 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-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis CSNK1A1, CSNK1G1, CSNK2A1 ERN1 333/4885KMT2A 1018/4885ALDH1A1 1775/4885
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS CSNK1A1, CSNK1G1, CSNK2A1 ERN1 333/4885KMT2A 1018/4885ALDH1A1 1775/4885

“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.