SCHEMBL563392

SCHEMBL563392

COc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 1.00
CYP1A2 P05177 1/20 0.74
EGFR P00533 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
AKR1B1 P15121 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 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
SCHEMBL31115697 1.00 APP (1.00) APPCYP1A2EGFRKDM4EALDH1A1
SCHEMBL10167882 0.89 APP (1.00) APPCYP1A2EGFRNPC1RAB9A
SCHEMBL1104921 0.87 APP (1.00) APPCYP1A2EGFRNPC1RAB9A
SCHEMBL7004388 0.86 APP (0.76) APPCYP1A2NPC1LMNARAB9A
SCHEMBL10038463 0.86 APP (0.75) APPCYP1A2EGFRKDM4EALDH1A1
SCHEMBL10167883 0.86 APP (0.93) APPCYP1A2EGFR
SCHEMBL1104925 0.85 APP (0.80) APPCYP1A2EGFRCA12CA1
SCHEMBL10167864 0.85 APP (1.00) APPCYP1A2MAOBNPC1RAB9A
SCHEMBL18932158 0.85 APP (0.74) APPCYP1A2KDM4EALDH1A1HPGD
Ethoxyresorufin SCHEMBL104497 0.85 APP (1.00) APPCYP1A2CA12CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106216-A1 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods TOYO BOSEKI KABUSHIKI KAISHA (JP) 2004-06-03 US claimed
EP-1378751-A2 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods Toyo Boseki Kabushiki Kaisha (JP) 2004-01-07 EP claimed
EP-1083223-A1 NOVEL IMMORTALIZED HEPATIC CELL LINE ORIGINATING IN HUMANS Takeda Chemical Industries, Ltd. (JP) 2001-03-14 EP claimed
CN-113293150-B Mutant enzymes 牛津大学科技创新有限公司 2025-05-13 CN disclosed
US-20250113821-A1 Methods and Compositions for Preserving Tissues and Organs MASSACHUSETTS GEN HOSPITAL (US) 2025-04-10 US disclosed
US-12239126-B2 Methods and compositions for preserving tissues and organs THE GENERAL HOSPITAL CORPORATION (US) 2025-03-04 US disclosed
CN-112513252-B Method for culturing proliferative hepatocytes 国家健康科学研究所 2024-07-12 CN disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
WO-2023137529-A1 ANTI-PARASITE COMPOUNDS AUSTRALIAN NATIONAL UNIVERSITY (AU) 2023-07-27 WO disclosed
US-11155790-B2 Mutant enzymes OXFORD UNIVERSITY INNOVATION LIMITED 2021-10-26 US disclosed
CN-113293150-A Mutant enzymes 牛津大学科技创新有限公司 2021-08-24 CN disclosed
US-6394812-B1 LIVER CELL CULTURE ORGANOGENESIS INC. 2002-05-28 US disclosed
EP-1200110-A1 IN VIVO INDUCTION FOR ENHANCED FUNCTION OF ISOLATED HEPATOCYTES ORGANOGENESIS INC. (US) 2002-05-02 EP disclosed
US-6376753-B1 ISOLATED DNA; POLLUTION CONTROL; ADJUST SENSITIVITY TO PLANT HERBICIDES, PESTICIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-04-23 US disclosed
US-6335428-B1 Agents that bind to and inhibit human cytochrome P450 1A2 THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-01-01 US disclosed
EP-1083223-A1 NOVEL IMMORTALIZED HEPATIC CELL LINE ORIGINATING IN HUMANS Takeda Chemical Industries, Ltd. (JP) 2001-03-14 EP disclosed
WO-2001007069-A1 IN VIVO INDUCTION FOR ENHANCED FUNCTION OF ISOLATED HEPATOCYTES ORGANOGENESIS INC. (US) 2001-02-01 WO disclosed
WO-2000004864-A2 AGENTS THAT BIND TO AND INHIBIT HUMAN CYTOCHROME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-02-03 WO disclosed
US-5891696-A CAN BE STORED AT A TEMPERATURE LESS THAN 8.DEGREE. C. FOR AT LEAST TWO WEEKS AND IS ABLE TO OXIDIZE A DRUG AFTER STORAGE PANVERA CORPORATION (US) 1999-04-06 US disclosed
WO-1998021312-A1 HUMAN HEPATOCYTES IN THREE-DIMENSIONAL SUPPORT SYSTEMS RPMS TECHNOLOGY LIMITED (GB) 1998-05-22 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 (1 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS APP 3721/4885CYP1A2 2469/4885EGFR 3560/4885

“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.