SCHEMBL3347649

SCHEMBL3347649

CCCc1n[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
GAA P10253 3/20 0.48
PDPK1 O15530 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
ALPL P05186 1/20 0.46
IDO1 P14902 1/20 0.46
TTK P33981 1/20 0.46
MAPK10 P53779 1/20 0.46
YTHDC1 Q96MU7 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
PDE3B Q13370 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
SCHEMBL1326632 0.89 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL2876088 0.87 MEN1 (0.45) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL29117330 0.86 MEN1 (0.47) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL254885 0.84 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25293269 0.83 HTR2A (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL25247830 0.81 HTR1A (0.53) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL6450219 0.81 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL730150 0.81 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL31530816 0.81 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2
SCHEMBL7714118 0.81 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-20230012655-A1 URIDINE DIPHOSPHATE DERIVATIVES, PRODRUGS, COMPOSITIONS AND USES THEREOF UNIV TUFTS (US) 2023-01-19 US disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2021-07-01 US disclosed
EP-3708164-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc (US) 2020-09-16 EP disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
US-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 US disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 US disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA KDM4E 2954/4885GAA 1372/4885PDPK1 258/4885
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL KDM4E 2617/4885GAA 28/4885PDPK1 992/4885
US-20120016117-A1 INDAZOLEPROPIONIC ACID AMIDE COMPOUND SCN9A, SCN1A, SCN1B KDM4E 3922/4885GAA 4762/4885PDPK1 1684/4885
US-20210198263-A1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS USP30, UCHL1, ADRM1 KDM4E 2992/4885GAA 175/4885PDPK1 1563/4885
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK KDM4E 2420/4885GAA 3096/4885PDPK1 2634/4885
US-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 KDM4E 881/4885GAA 1073/4885PDPK1 542/4885
US-20230012655-A1 URIDINE DIPHOSPHATE DERIVATIVES, PRODRUGS, COMPOSITIONS AND USES THEREOF UMPS, UPP1, UGDH KDM4E 4085/4885GAA 282/4885PDPK1 860/4885

“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.