SCHEMBL453513

SCHEMBL453513

O=C(O)c1cccc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 3/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
NAPRT Q6XQN6 3/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM5A P29375 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
KDM5B Q9UGL1 1/20 0.40

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
Hydrochloric Acid SCHEMBL22165595 0.98 KEAP1 (0.47) KEAP1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL5990597 0.98 KEAP1 (0.47) KEAP1ALDH1A1ALOX15KDM4ETDP1
Trifluoroacetic Acid SCHEMBL20482045 0.91 KEAP1 (0.41) KEAP1ALDH1A1ALOX15KDM4ETDP1
Tromethamine SCHEMBL16115022 0.87 KEAP1 (0.39) KEAP1ALDH1A1KDM4ETDP1PARP1
SCHEMBL663849 0.84 PARP1 (0.56) ALDH1A1ALOX15KDM4EPARP1SMN1; SMN2
SCHEMBL1297899 0.84 PARP1 (0.41) KEAP1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL2646903 0.84 PARP1 (0.41) ALDH1A1ALOX15KDM4ETDP1PARP1
Hydrochloric Acid SCHEMBL7358641 0.82 PARP1 (0.54) ALDH1A1ALOX15KDM4EPARP1SMN1; SMN2
Potassium Ion SCHEMBL1578580 0.82 PARP1 (0.39) KEAP1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL30448349 0.82 ALDH1A1 (0.42) KEAP1ALDH1A1ALOX15KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090530-A1 COMBINATIONS FOR THE TREATMENT OF CANCER TERNS PHARMACEUTICALS, INC. 2025-03-20 US claimed
WO-2025049931-A1 COMBINATIONS COMPRISING BCR:ABL-1 INHIBITOR AND A SECOND TYROSINE KINASE INHIBITOR FOR USE IN THE TREATMENT OF CANCER TERNS PHARMACEUTICALS, INC. (US) 2025-03-06 WO claimed
CN-117696012-A Metal organic framework material and preparation method and application thereof 浙江大学 2024-03-15 CN claimed
EP-3852745-A2 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2021-07-28 EP claimed
CN-112592485-A Preparation of polyion liquid functionalized MOFs material and application of polyion liquid functionalized MOFs material in synthesis of isopulegol 福州大学 2021-04-02 CN claimed
US-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 US claimed
WO-2020061086-A2 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2020-03-26 WO claimed
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS Terns, Inc. (US) 2020-03-19 US claimed
CN-106032378-B New A RB compound and application thereof 武汉启瑞药业有限公司 2019-10-25 CN claimed
CN-109771650-A The composition being made of rush histamine release object and two substituted biphenyl derivatives 黄泳华 2019-05-21 CN claimed
US-5753651-A Use of AT1 antagonist such as irbesartan or candesartan cilexetil, among others; premenstrual syndrome (PMS) DEPADOVA ANTHONY S (US) 1998-05-19 US claimed
EP-0546358-B1 Pharmaceutical compositions with angiotensin-II-antagonistic activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-08-27 EP claimed
EP-0759754-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DePadova, Anthony S. (US) 1997-03-05 EP claimed
US-5534534-A HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-09 US claimed
WO-1995029674-A1 A METHOD OF MODIFYING ANGIOTENSIN RECEPTOR ACTIVITY FOR TREATMENT OF PREMENSTRUAL SYNDROME AND MEDIATION OF PAIN DEPADOVA ANTHONY S (US) 1995-11-09 WO claimed
EP-0612524-A1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 EP claimed
CN-1086998-A Combination of oral medication and preparation method TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-05-25 CN claimed
EP-0546358-A2 Pharmaceutical compositions with angiotensin-II-antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-16 EP claimed
CN-1072338-A Combination of oral medication and preparation method TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-05-26 CN claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20250090530-A1 COMBINATIONS FOR THE TREATMENT OF CANCER ABL2, ABL1, BCR KEAP1 1440/4885ALDH1A1 1452/4885ALOX15 3837/4885
US-20200087283-A1 COMPOUNDS FOR TREATING CERTAIN LEUKEMIAS ABL1, ABL2, BCR KEAP1 720/4885ALDH1A1 1027/4885ALOX15 3188/4885
US-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA KEAP1 2454/4885ALDH1A1 780/4885ALOX15 513/4885

“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.