SCHEMBL20297332

SCHEMBL20297332

CCC(O)CNCc1cnc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.46
▸ CD274 Q9NZQ7 9/20 0.35
▸ PDCD1LG2 Q9BQ51 4/20 0.35
▸ DNM1 Q05193 1/20 0.34
▸ PDCD1 Q15116 4/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ OXTR P30559 1/20 0.32
▸ AVPR1A P37288 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MTAP Q13126 1/20 0.31

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
SCHEMBL18322510 1.00 ROCK2 (0.46) ROCK2CD274PDCD1LG2DNM1PDCD1
SCHEMBL22721404 0.74 ROCK2 (0.47) ROCK2CD274PDCD1LG2DNM1PDCD1
SCHEMBL22721406 0.74 ROCK2 (0.47) ROCK2CD274PDCD1LG2DNM1PDCD1
SCHEMBL22513143 0.74 KDM4E (0.41) CYP1A2CYP2D6KDM4EMEN1KMT2A
SCHEMBL23066496 0.72 SLC6A4 (0.44) CYP2D6
SCHEMBL30570470 0.72 SLC6A4 (0.44) CYP2D6
SCHEMBL9095902 0.71 OPRK1 (0.39) ROCK2CD274DNM1OPRK1CYP1A2
SCHEMBL18325449 0.71 ROCK2 (0.38) ROCK2CD274PDCD1LG2DNM1
SCHEMBL10863825 0.70 SIGMAR1 (0.37) CYP1A2CYP2D6OXTRAVPR1A
SCHEMBL11966906 0.69 NOS3 (0.41) CYP2D6NPSR1ALDH1A1

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 8 patents. 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
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 — — CN disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 — — EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 — — EP disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 — — US disclosed
US-20200079759-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-12 — — US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 — — 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 (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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ROCK2 4147/4885CD274 4508/4885PDCD1LG2 3158/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 ROCK2 4147/4885CD274 4508/4885PDCD1LG2 3158/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ROCK2 3320/4885CD274 4202/4885PDCD1LG2 2910/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ROCK2 3320/4885CD274 4202/4885PDCD1LG2 2910/4885

“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.

Send feedback