SCHEMBL368012

SCHEMBL368012

CCOC(=O)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.58
GABRG2 P18507 4/20 0.58
GABRB3 P28472 4/20 0.58
GABRA3 P34903 4/20 0.58
GABRA2 P47869 4/20 0.58
GABRB2 P47870 4/20 0.58
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
PBRM1 Q86U86 1/20 0.57
NR4A2 P43354 1/20 0.56
CREBBP Q92793 1/20 0.56
ALOX5 P09917 1/20 0.56
GPR84 Q9NQS5 1/20 0.56
IGF1R P08069 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL29790938 1.00 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7170554 0.85 NR4A2 (0.57) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL730525 0.84 NR4A2 (0.69) GABRA1GABRB2LMNAPKMPBRM1
Hydrochloric Acid SCHEMBL28308377 0.83 NR4A2 (0.67) GABRA1GABRB2LMNAPKMPBRM1
Hydrochloric Acid SCHEMBL30718988 0.83 NR4A2 (0.67) GABRA1GABRB2LMNAPKMPBRM1
SCHEMBL10981156 0.83 PKM (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10981136 0.83 PKM (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL20913000 0.83 LMNA (0.59) LMNAPKMPBRM1NR4A2CREBBP
SCHEMBL30658176 0.83 NR4A2 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL729076 0.83 NR4A2 (0.71) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011526618-A 2011-10-13 JP claimed
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2011-07-07 US claimed
EP-2303840-A2 CALCIUM ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2011-04-06 EP claimed
WO-2010001179-A2 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-01-07 WO claimed
EP-3749306-B1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2025-09-03 EP disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12030901-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-07-09 US disclosed
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV INDIANA TRUSTEES (US) 2023-04-20 US disclosed
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-02-21 US disclosed
US-11578060-B2 JAK3 selective inhibitor PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2023-02-14 US disclosed
CN-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed
US-20210214344-A1 JAK3 SELECTIVE INHIBITOR PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2021-07-15 US disclosed
EP-0122157-A2 Improvements in or relating to indolylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed
US-4118394-A ANTIULCER, ANTIDEPRESSANT AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-10-03 US disclosed
US-4066780-A Pyranoindole derivatives as antiulcer agents AYERST MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4066779-A ANTIDEPRESSANT, ANTIULCER AYERST, MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4056538-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST, MCKENNA & HARRISON LIMITED (CA) 1977-11-01 US disclosed
US-4056537-A CYCLIZATION, ACID CATALYST AYERST MCKENNA AND HARRISON LTD. (CA) 1977-11-01 US disclosed
US-4041169-A TREATING AND PREVENTING ULCERS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-08-09 US disclosed
US-4003913-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-01-18 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 (7 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD GABRA1 3206/4885GABRG2 3313/4885GABRB3 2931/4885
US-12030901-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT GABRA1 3708/4885GABRG2 4356/4885GABRB3 3429/4885
US-20230124268-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND METHODS FOR USE OF THE SAME NAMPT, NNT, NAPRT GABRA1 3708/4885GABRG2 4356/4885GABRB3 3429/4885
US-20110166136-A1 Calcium Ion Channel Modulators & Uses Thereof CACNA1E, CACNA1B, KCNN3 GABRA1 285/4885GABRG2 358/4885GABRB3 278/4885
US-20210214344-A1 JAK3 SELECTIVE INHIBITOR JAK3, JAK1, JAK2 GABRA1 2517/4885GABRG2 2684/4885GABRB3 1450/4885
US-11578060-B2 JAK3 selective inhibitor JAK3, JAK1, JAK2 GABRA1 2517/4885GABRG2 2684/4885GABRB3 1450/4885
US-11584766-B2 Nicotinamide phosphoribosyltransferase inhibitors and methods for use of the same NAMPT, NNT, NAPRT GABRA1 3708/4885GABRG2 4356/4885GABRB3 3429/4885

“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.