SCHEMBL18325618

SCHEMBL18325618

CCn1nnc2c(F)c(Br)ccc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.61
SLC9A1 P19634 1/20 0.42
HCAR3 P49019 1/20 0.38
PTGER4 P35408 1/20 0.37

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
SCHEMBL29442748 0.81 GRM2 (0.63) GRM2SLC9A1HCAR3
SCHEMBL16831208 0.81 GRM2 (0.63) GRM2SLC9A1HCAR3
SCHEMBL18325531 0.80 GRM2 (0.61) GRM2SLC9A1HCAR3
SCHEMBL31457669 0.78 GRM2 (0.58) GRM2SLC9A1HCAR3
SCHEMBL16832061 0.77 LMNA (0.41) GRM2SLC9A1HCAR3PTGER4
SCHEMBL31306003 0.77 LMNA (0.41) GRM2SLC9A1HCAR3PTGER4
SCHEMBL30665857 0.75 GRM2 (0.55) GRM2SLC9A1HCAR3
SCHEMBL25429341 0.73 GRM2 (0.57) GRM2SLC9A1HCAR3
SCHEMBL31339740 0.73 GRM2 (0.57) GRM2SLC9A1HCAR3
SCHEMBL20439751 0.70 GRM2 (0.53) GRM2SLC9A1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 EP disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
EP-3555088-A1 BISARYL AMIDES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
EP-3555078-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109643-A1 BISARYL HETEROCYCLES AS NRF2 ACTI GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2018109647-A1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO disclosed
WO-2016202253-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 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 (4 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 GRM2 2601/4885SLC9A1 3329/4885HCAR3 1162/4885
US-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 GRM2 2279/4885SLC9A1 4050/4885HCAR3 1805/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 GRM2 1583/4885SLC9A1 3621/4885HCAR3 1386/4885
US-11117905-B2 Bisaryl heterocycles as NRF2 activators NFE2L2, KEAP1, NQO1 GRM2 2726/4885SLC9A1 3329/4885HCAR3 1692/4885

“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.