SCHEMBL18734271

SCHEMBL18734271

Cn1cc(/C=C/C(=O)OCc2ccccc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
AKR1B10 O60218 6/20 0.53
AKR1B1 P15121 6/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
HCAR2 Q8TDS4 1/20 0.52
TTR P02766 1/20 0.49
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
BRD4 O60885 2/20 0.43
ALOX5 P09917 1/20 0.41
MAOB P27338 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41

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
SCHEMBL18707081 1.00 LMNA (0.57) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL31377124 0.81 LMNA (0.56) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL28638168 0.77 HDAC11 (0.49) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL28636096 0.77 HDAC11 (0.49) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL28261805 0.77 HDAC11 (0.49) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6996836 0.77 CA12 (0.45) CA12CA7CA9CA14HCAR2
SCHEMBL21345457 0.76 ALDH1A1 (0.57) LMNAALDH1A1BRD4
SCHEMBL6994919 0.75 HDAC3 (0.39) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL337503 0.74 HCAR2 (0.89) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL337504 0.74 HCAR2 (0.89) LMNAAKR1B10AKR1B1CA12CA4

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-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

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 LMNA 2758/4885AKR1B10 828/4885AKR1B1 238/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 LMNA 2758/4885AKR1B10 828/4885AKR1B1 238/4885

“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.