SCHEMBL657598

SCHEMBL657598

[NH]C(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 3/20 0.67
GAA P10253 2/20 0.67
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 2/20 0.42
HDAC8 Q9BY41 2/20 0.40
MMP3 P08254 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDC25B P30305 3/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL578683 0.83 KDM4E (0.71) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL123193 0.82 ALDH1A1 (0.69) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL29196640 0.82 KDM4E (0.69) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL26093 0.82 KDM4E (0.69) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL29405887 0.82 ALDH1A1 (0.69) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL56092 0.81 NR4A1 (0.65) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL5266634 0.80 ALDH1A1 (0.67) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL634215 0.80 KDM4E (1.00) KDM4EALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL8505033 0.80 ALDH1A1 (0.67) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL1573605 0.80 KDM4E (0.67) KDM4EALDH1A1GAAMEN1KMT2A

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
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
CN-108602770-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2022-02-08 CN disclosed
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-12-23 US disclosed
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS VTVX HOLDINGS II LLC 2021-06-24 US disclosed
CN-112839988-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2021-05-25 CN disclosed
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists VTV THERAPEUTICS LLC (US) 2021-03-16 US disclosed
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS HIGH POINT PHARMACEUTICALS, LLC 2020-07-09 US disclosed
WO-2020067144-A1 NUCLEATING AGNET, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF 株式会社ADEKA 2020-04-02 WO disclosed
CN-110740991-A Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2020-01-31 CN disclosed
US-20050070583-A1 Novel compounds, their preparation and use VTVX HOLDINGS II LLC 2005-03-31 US disclosed
US-20040143006-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-07-22 US disclosed
WO-2004037776-A2 NOVEL COMPOUNDS AND THEIR USE AS PRAR-MODULATORS NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004037775-A1 NOVEL COMPOUNDS USEFUL IN TREATING PPAR MEDIATED DISEASES NOVO NORDISK A/S (DK) 2004-05-06 WO disclosed
WO-2004022533-A1 NOVEL VINYL CARBOXYLIC ACID DERIVATIVES AND THEIR THERAPEUTICAL USE NOVO NORDISK A/S (DK) 2004-03-18 WO disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 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 (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-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF NOC2L, RIF1, NAP1L1 KDM4E 3175/4885ALDH1A1 2699/4885GAA 2354/4885
US-20050070583-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA KDM4E 4443/4885ALDH1A1 862/4885GAA 885/4885
US-20040143006-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA KDM4E 4475/4885ALDH1A1 722/4885GAA 864/4885
US-10947180-B2 Phenoxy acetic acids and phenyl propionic acids as PPAR delta agonists PPARG, PPARA, PPARD KDM4E 3509/4885ALDH1A1 487/4885GAA 809/4885
US-20200215073-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD KDM4E 3509/4885ALDH1A1 487/4885GAA 809/4885
US-20210188758-A1 PHENOXY ACETIC ACIDS AND PHENYL PROPIONIC ACIDS AS PPAR DELTA AGONISTS PPARG, PPARA, PPARD KDM4E 3509/4885ALDH1A1 487/4885GAA 809/4885

“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.