SCHEMBL4451023

SCHEMBL4451023

c1ccc(COc2c[nH]nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL23047021 0.84 TSHR (0.44) TSHRL3MBTL1TDP1MAOAMAOB
SCHEMBL27257191 0.81 IDO1 (0.48) GABRG2GABRB3GABRA3GABRA1LMNA
SCHEMBL27988771 0.80 IDO1 (0.47) GABRG2GABRB3GABRA3GABRA1LMNA
SCHEMBL4274920 0.77 LMNA (0.55) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL29699550 0.74 NPC1 (0.56) CYP2C19MAPTMAOAMAOBRAB9A
SCHEMBL28627959 0.73 PKM (0.46) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL27514407 0.73 IDO1 (0.35) MAPTTDP1MAOAHTTIDO1
SCHEMBL1186713 0.73 RAB9A (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5612692 0.73 BRD4 (0.56) L3MBTL1MAPTMAPK1TDP1LTA4H
SCHEMBL2524154 0.73 L3MBTL1 (0.52) PKMTSHRLMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084077-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2025-03-13 US disclosed
US-12091409-B2 Ether linked triazoles as NRF2 activators ASTEX THERAPEUTICS LIMITED (GB) 2024-09-17 US disclosed
US-20220089590-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2022-03-24 US disclosed
EP-3555082-B1 ETHER LINKED TRIAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-26 EP disclosed
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2022-01-06 US disclosed
US-11059816-B2 Ether linked triazoles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-13 US disclosed
EP-3796906-A1 INDANES AS NRF2 ACTIVATORS GlaxoSmithKline Intellectual Property Management Limited (GB) 2021-03-31 EP disclosed
EP-3555068-B1 3-OXO-1,4-DIAZEPINYLE COMPOUNDS AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-02 EP disclosed
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-05 US disclosed
EP-3555082-A1 ETHER LINKED TRIAZOLES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
EP-0181212-B1 LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1988-11-09 EP disclosed
US-4671894-A MIXTURE OF ANIONIC, NONIONIC, AND ZWITTERIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1987-06-09 US disclosed
EP-0107946-B1 LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1987-03-11 EP disclosed
EP-0181212-A1 Liquid detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1986-05-14 EP disclosed
EP-0062371-B1 LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1985-07-03 EP disclosed
EP-0039110-B1 LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1985-01-02 EP disclosed
EP-0125854-A2 Liquid detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1984-11-21 EP disclosed
EP-0107946-A1 Liquid detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1984-05-09 EP disclosed
EP-0062371-A1 Liquid detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1982-10-13 EP disclosed
EP-0039110-A1 Liquid detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1981-11-04 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 (6 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-11059816-B2 Ether linked triazoles as NRF2 activators NFE2L2, KEAP1, NQO1 GABRG2 2580/4885GABRB3 1257/4885GABRA5 1778/4885
US-20220089590-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 GABRG2 2580/4885GABRB3 1257/4885GABRA5 1778/4885
US-20250084077-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 GABRG2 2580/4885GABRB3 1257/4885GABRA5 1778/4885
US-12091409-B2 Ether linked triazoles as NRF2 activators NFE2L2, KEAP1, NQO1 GABRG2 2580/4885GABRB3 1257/4885GABRA5 1778/4885
US-20200071317-A1 ETHER LINKED TRIAZOLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 GABRG2 2580/4885GABRB3 1257/4885GABRA5 1778/4885
US-20220002272-A1 BISARYL LACTAMS AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 GABRG2 2021/4885GABRB3 1109/4885GABRA5 1503/4885

“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.