SCHEMBL18706643

SCHEMBL18706643

CCC[C@@H]1CCCCN1C(=O)c1cncc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
L3MBTL4 Q8NA19 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRM5 P41594 3/20 0.52
HSD17B10 Q99714 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL18706645 1.00 ALDH1A1 (0.59) ALDH1A1L3MBTL4L3MBTL3L3MBTL1GRM5
SCHEMBL18706664 0.81 HPGD (0.55) ALDH1A1L3MBTL4L3MBTL3L3MBTL1GRM5
SCHEMBL18706661 0.81 HPGD (0.55) ALDH1A1L3MBTL4L3MBTL3L3MBTL1GRM5
SCHEMBL18707033 0.81 GRM5 (0.45) ALDH1A1GRM5NPC1HPGDKEAP1
SCHEMBL18707031 0.81 GRM5 (0.45) ALDH1A1GRM5NPC1HPGDKEAP1
SCHEMBL7589116 0.79 ALDH1A1 (0.92) ALDH1A1L3MBTL4L3MBTL3L3MBTL1HSD17B10
SCHEMBL5909274 0.78 ALDH1A1 (0.70) ALDH1A1L3MBTL4L3MBTL3L3MBTL1GRM5
SCHEMBL7585371 0.78 ALDH1A1 (0.65) ALDH1A1L3MBTL4L3MBTL3L3MBTL1HSD17B10
SCHEMBL7588046 0.77 ALDH1A1 (0.71) ALDH1A1L3MBTL4L3MBTL3L3MBTL1HSD17B10
SCHEMBL4515095 0.75 GRM5 (0.58) GRM5KEAP1NFE2L2

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 5 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-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 ALDH1A1 372/4885L3MBTL4 4193/4885L3MBTL3 3482/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 372/4885L3MBTL4 4193/4885L3MBTL3 3482/4885

“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.