SCHEMBL1966436

SCHEMBL1966436

CNc1cc(OC)c(C(=O)OC)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
KDM4E B2RXH2 12/20 0.57
POLB P06746 4/20 0.49
HTT P42858 2/20 0.48
ATM Q13315 2/20 0.46
ALDH1A1 P00352 9/20 0.45
HPGD P15428 8/20 0.45
HSD17B10 Q99714 6/20 0.45
MAPT P10636 4/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CFTR P13569 1/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
ABL1 P00519 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL31215241 1.00 GAA (0.59) GAAKDM4EPOLBHTTATM
SCHEMBL972983 0.93 GAA (0.64) GAAKDM4EPOLBHTTATM
SCHEMBL1725888 0.87 ALDH1A1 (0.51) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15322951 0.84 KDM4E (0.50) GAAKDM4EPOLBATMALDH1A1
SCHEMBL6473999 0.84 GAA (0.74) GAAKDM4EPOLBHTTATM
SCHEMBL29424850 0.84 GAA (0.74) GAAKDM4EPOLBHTTATM
Hydrochloric Acid SCHEMBL11690960 0.83 GAA (0.55) GAAKDM4EPOLBHTTALDH1A1
SCHEMBL2900351 0.82 KDM4E (0.82) GAAKDM4EPOLBHTTATM
SCHEMBL8902306 0.82 GAA (0.67) GAAKDM4EPOLBHTTATM
SCHEMBL973355 0.81 KDM4E (0.49) GAAKDM4EPOLBATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885342-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2024-11-20 EP disclosed
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 US disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 US disclosed
CN-109069869-B Bicyclic PAD4 inhibitors 帕德罗科治疗公司 2022-09-13 CN disclosed
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2022-06-02 US disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-09-28 US disclosed
EP-3386590-B1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-02 EP disclosed
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-01-12 US disclosed
WO-2017100594-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-06-15 WO disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-8759535-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
EP-2536285-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF High Point Pharmaceuticals, LLC (US) 2012-12-26 EP disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2011103018-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-25 WO disclosed
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-18 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (9 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN GAA 237/4885KDM4E 2451/4885POLB 2487/4885
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN GAA 237/4885KDM4E 2451/4885POLB 2487/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN GAA 237/4885KDM4E 2451/4885POLB 2487/4885
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, PTGS2 GAA 906/4885KDM4E 2243/4885POLB 2190/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN GAA 284/4885KDM4E 2332/4885POLB 2872/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN GAA 237/4885KDM4E 2451/4885POLB 2487/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 GAA 2503/4885KDM4E 140/4885POLB 3740/4885
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GOT2, GLS2, PYGL GAA 271/4885KDM4E 1595/4885POLB 1861/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 GAA 1075/4885KDM4E 125/4885POLB 498/4885

“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.