SCHEMBL8514458

SCHEMBL8514458

O=C(O)/C=C/CCc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.65
TBXAS1 P24557 12/20 0.55
NAPRT Q6XQN6 1/20 0.53
CHRNA7 P36544 1/20 0.47

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
SCHEMBL8514462 1.00 GPR52 (0.65) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL11062795 0.90 TBXAS1 (0.67) GPR52TBXAS1
SCHEMBL11062791 0.90 TBXAS1 (0.67) GPR52TBXAS1
SCHEMBL8512647 0.89 GPR52 (0.57) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL8512649 0.89 GPR52 (0.57) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL15758205 0.83 TBXAS1 (0.57) GPR52TBXAS1NAPRT
SCHEMBL15758203 0.83 TBXAS1 (0.57) GPR52TBXAS1NAPRT
SCHEMBL11065494 0.82 TBXAS1 (0.64) GPR52TBXAS1
SCHEMBL11065492 0.82 TBXAS1 (0.64) GPR52TBXAS1
SCHEMBL2853636 0.81 GPR52 (0.70) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 EP disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 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 (3 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 GPR52 569/4885TBXAS1 1055/4885NAPRT 1663/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 GPR52 569/4885TBXAS1 1055/4885NAPRT 1663/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 GPR52 569/4885TBXAS1 1055/4885NAPRT 1663/4885

“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.