SCHEMBL217191

SCHEMBL217191

COc1cc(N)c(C(=O)O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 2/20 0.49
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
PTGS2 P35354 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 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
SCHEMBL1663313 0.93 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL85946 0.86 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL12793494 0.85 HTT (0.56) KDM4EALDH1A1MAPTHPGDLMNA
Hydrochloric Acid SCHEMBL5012089 0.85 KDM4E (0.67) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL29191828 0.84 LCK (0.57) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL856225 0.84 GAA (0.58) KDM4EALDH1A1HPGDLMNACYP3A4
SCHEMBL1015430 0.84 KDM4E (0.77) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL29918211 0.84 GAA (0.58) KDM4EALDH1A1HPGDLMNACYP3A4
Nitrogen SCHEMBL28644623 0.83 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL3836141 0.82 MAPT (0.64) KDM4EALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590683-B Preparation method of intermediate of targeting drug AZD3759 山东四环药业股份有限公司 2022-08-19 CN claimed
CN-110590683-A Preparation method of intermediate of targeting drug AZD3759 山东四环药业股份有限公司 2019-12-20 CN claimed
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 EP disclosed
US-20240382599-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2024-11-21 US disclosed
CN-115322158-B As KRASG12CSubstituted quinazoline compounds of protein inhibitor 江南大学 2024-04-30 CN disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
WO-2023287730-A1 TRICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2023-01-19 WO disclosed
CN-115322158-A As KRAS G12C Substituted quinazoline compounds of protein inhibitor 江南大学 2022-11-11 CN disclosed
EP-1641767-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME Boehringer Ingelheim International GmbH (DE) 2006-04-05 EP disclosed
EP-1567506-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS Array Biopharma, Inc. (US) 2005-08-31 EP disclosed
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US disclosed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004108664-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-16 WO disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 WO disclosed
EP-0449557-B1 Recovery of values from cereal wastes CA MINISTER AGRICULTURE & FOOD (CA) 1996-09-04 EP disclosed
US-5169660-A Steeping cereals in water to liquify endosperm, then macerating them in aqueous ethanol solution, separation and recovery of bran and endosperm materials HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF AGRICULTURE (CA) 1992-12-08 US disclosed
EP-0449557-A2 Recovery of values from cereal wastes Her Majesty in Right of Canada as represented by the Minister of Agriculture Canada (CA) 1991-10-02 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 (5 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-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 KDM4E 3496/4885ALDH1A1 1923/4885MAPT 910/4885
US-20240382599-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL KDM4E 1254/4885ALDH1A1 4031/4885MAPT 1456/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 KDM4E 2024/4885ALDH1A1 1873/4885MAPT 2435/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR KDM4E 4489/4885ALDH1A1 4357/4885MAPT 4820/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KDM4E 1437/4885ALDH1A1 1079/4885MAPT 3028/4885

“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.