SCHEMBL16831028

SCHEMBL16831028

CNc1ccc(Br)c(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.37
▸ PTGER4 P35408 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ TLR2 O60603 2/20 0.34
▸ TLR1 Q15399 2/20 0.34
▸ MAPK1 P28482 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33

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
SCHEMBL20599278 0.85 PTGER4 (0.36) PTGER4MAPTHCAR3MAPK1HTT
SCHEMBL27856588 0.79 ALDH1A1 (0.46) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL16738942 0.79 PTGER4 (0.38) PTGER4MAPTHCAR3MAPK1HTT
SCHEMBL20599279 0.78 PTGER4 (0.36) PTGER4MAPTHCAR3TLR2TLR1
SCHEMBL16750263 0.77 MEN1 (0.43) PTGER4MAPTHCAR3MAPK1HTT
SCHEMBL29558653 0.77 MEN1 (0.43) PTGER4MAPTHCAR3MAPK1HTT
SCHEMBL23122433 0.76 ALDH1A1 (0.40) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL28315230 0.76 GPR35 (0.41) ARMAPK1ALDH1A1MEN1NPC1
SCHEMBL16831434 0.76 PTGER4 (0.58) PTGER4MAPTHCAR3MAPK1HTT
SCHEMBL21713699 0.75 PTGER4 (0.39) PTGER4MAPTHCAR3MAPK1HTT

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-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 — — US disclosed
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
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 — — 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-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 — — 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 AR 974/4885PTGER4 1372/4885MAPT 1861/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 AR 974/4885PTGER4 1372/4885MAPT 1861/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 AR 974/4885PTGER4 1372/4885MAPT 1861/4885

“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.

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