SCHEMBL18322196

SCHEMBL18322196

CCC1CNCc2cccnc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
CYP2A6 P11509 1/20 0.32
SSTR4 P31391 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
AKR1B1 P15121 1/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL18322194 1.00 LTA4H (0.33) LTA4HHTR2AHTR2CHTR2BCYP2A6
SCHEMBL18322171 0.80 AKR1B1 (0.40) HTR2AHTR2CHTR2BMEN1CYP3A4
SCHEMBL18322029 0.80 AKR1B1 (0.40) HTR2AHTR2CHTR2BMEN1CYP3A4
SCHEMBL18322032 0.80 AKR1B1 (0.40) HTR2AHTR2CHTR2BMEN1CYP3A4
SCHEMBL15698925 0.77 HTR1A (0.39) LTA4HHTR2AHTR2CHTR2BCYP2A6
SCHEMBL25044837 0.77 CYP1A2 (0.31) CYP3A4
SCHEMBL20268767 0.77 TSHR (0.33) LTA4HHTR2AHTR2CHTR2BCYP2A6
SCHEMBL18322554 0.77 TSHR (0.33) LTA4HHTR2AHTR2CHTR2BCYP2A6
SCHEMBL24650172 0.76 MAPT (0.37) HTR2AHTR2CHTR2BSSTR4MEN1
SCHEMBL29442765 0.76 MAPT (0.37) HTR2AHTR2CHTR2BSSTR4MEN1

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 15 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
EP-3796906-A1 INDANES AS NRF2 ACTIVATORS GlaxoSmithKline Intellectual Property Management Limited (GB) 2021-03-31 EP disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3766878-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-01-20 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-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 US disclosed
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180169110-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
WO-2018104766-A1 3-(2,3-DIHYDRO-1H-INDEN-5-YL)PROPANOIC ACID DERIVATIVES AND THEIR USE AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-14 WO disclosed
EP-3307729-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016203401-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 (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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 LTA4H 1639/4885HTR2A 1689/4885HTR2C 1955/4885
US-10272095-B2 NRF2 regulators NFE2L2, KEAP1, NQO1 LTA4H 1264/4885HTR2A 1741/4885HTR2C 1943/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 LTA4H 1264/4885HTR2A 1741/4885HTR2C 1943/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 LTA4H 1639/4885HTR2A 1689/4885HTR2C 1955/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 LTA4H 1264/4885HTR2A 1741/4885HTR2C 1943/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 LTA4H 1264/4885HTR2A 1741/4885HTR2C 1943/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 LTA4H 1264/4885HTR2A 1741/4885HTR2C 1943/4885

“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.