SCHEMBL18700899

SCHEMBL18700899

CCOC(=O)c1cnn(-c2cccc(Br)c2)c1C1CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KEAP1 Q14145 10/20 0.50
NFE2L2 Q16236 10/20 0.50
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL18706704 0.96 TP53 (0.59) TP53POLBHTTALDH1A1SMN1; SMN2
SCHEMBL18707107 0.88 NFE2L2 (0.53) TP53POLBKEAP1NFE2L2
SCHEMBL1403058 0.86 ALDH1A1 (0.60) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6311490 0.86 KEAP1 (0.67) TP53POLBHTTALDH1A1SMN1; SMN2
SCHEMBL18706440 0.84 TP53 (0.58) TP53POLBHTTALDH1A1SMN1; SMN2
SCHEMBL26125537 0.84 POLB (0.58) TP53POLBHTTALDH1A1SMN1; SMN2
SCHEMBL18733335 0.84 TP53 (0.58) TP53POLBHTTALDH1A1SMN1; SMN2
SCHEMBL31252550 0.84 POLB (0.58) TP53POLBHTTALDH1A1SMN1; SMN2
SCHEMBL18706592 0.84 HTT (0.59) POLBHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL13766911 0.83 HTT (0.58) TP53POLBHTTALDH1A1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-16 US disclosed
US-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-10-04 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
EP-3371167-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-09-12 EP disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060855-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 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-20180282283-A1 ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 TP53 972/4885POLB 1908/4885HTT 2570/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 TP53 1359/4885POLB 1994/4885HTT 3171/4885
US-10351530-B2 Arylcyclohexyl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 TP53 972/4885POLB 1908/4885HTT 2570/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 TP53 1359/4885POLB 1994/4885HTT 3171/4885

“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.