SCHEMBL934017

SCHEMBL934017

N=C(N)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
HTT P42858 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL19959508 0.84 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2171004 0.84 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27144 0.83 ALDH1A1 (0.68) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23333463 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Guanidine SCHEMBL27358697 0.82 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL9133695 0.82 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13267044 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27327716 0.81 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23542519 0.81 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27831589 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
CN-106279369-B Antifungal agent and application thereof 奇达拉治疗公司 2020-02-11 CN disclosed
EP-2680873-A2 ANTIFUNGAL AGENTS AND USES THEREOF Seachaid Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
WO-2013040789-A1 SUBSTITUTED PYRIMIDINES MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
CN-102725401-A Permanently charged sodium and calcium channel blockers as anti-inflammatory agents HARVARD COLLEGE 2012-10-10 CN disclosed
WO-2012119065-A2 ANTIFUNGAL AGENTS AND USES THEREOF SEACHAID PHARMACEUTICALS, INC. (US) 2012-09-07 WO disclosed
EP-2451944-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2012-05-16 EP disclosed
CN-102112121-A Methods, compositions, and kits for treating pain and pruritis HARVARD COLLEGE 2011-06-29 CN disclosed
WO-2011006073-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 WO disclosed
EP-2101819-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-23 EP disclosed
WO-2008063603-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-05-29 WO disclosed
CN-101160280-A Compounds and uses thereof COMBINATORX INC (US) 2008-04-09 CN disclosed
US-6284914-B1 HYDROXAMIC ACID DERIVATIVES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-09-04 US disclosed
US-6147114-A HYDROXAMIC ACID DERIVATIVES FROM TUMOR NECROSIS FACTOR CONVERTING ENZYME FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-11-14 US disclosed
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 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 (2 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 ALDH1A1 3650/4885TDP1 1208/4885MAPK1 4065/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 ALDH1A1 3650/4885TDP1 1208/4885MAPK1 4065/4885

“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.