SCHEMBL18706830

SCHEMBL18706830

Cc1c(Br)cccc1OC(C)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
MCHR1 Q99705 2/20 0.33
HTR6 P50406 5/20 0.33
HTR1A P08908 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 1/20 0.32
GRM2 Q14416 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL18706826 1.00 HPGD (0.36) HPGDSMN1; SMN2LMNAHTTKMT2A
SCHEMBL18706901 0.85 ADRA2A (0.43) HPGDSMN1; SMN2LMNAHTTKMT2A
SCHEMBL25434219 0.79 MCHR1 (0.40) KMT2AADRA2AADRA2BADRA2CMCHR1
SCHEMBL14857739 0.76 MCHR1 (0.44) HPGDLMNAKMT2AMCHR1
SCHEMBL24224738 0.75 HPGD (0.57) HPGDKMT2AADRA2AADRA2BADRA2C
SCHEMBL14858080 0.72 MCHR1 (0.48) HPGDMCHR1
SCHEMBL26186976 0.71 HTT (0.43) SMN1; SMN2LMNAHTTKMT2A
SCHEMBL23761306 0.70 ADRA2A (0.44) HPGDKMT2AADRA2AADRA2BADRA2C
SCHEMBL24180112 0.70 ADRA2B (0.44) HPGDADRA2AADRA2BADRA2CMCHR1
SCHEMBL19510885 0.70 MCHR1 (0.39) LMNAKMT2AMCHR1

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 4 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-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 HPGD 161/4885SMN1; SMN2 4243/4885LMNA 2758/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 HPGD 161/4885SMN1; SMN2 4243/4885LMNA 2758/4885

“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.