SCHEMBL20599278

SCHEMBL20599278

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.36
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ HCAR3 P49019 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
SCHEMBL16831028 0.85 AR (0.37) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL18197380 0.77 PTGER4 (0.39) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL20599279 0.76 PTGER4 (0.36) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL16738942 0.74 PTGER4 (0.38) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL26654613 0.74 PTGER4 (0.39) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL29558653 0.72 MEN1 (0.43) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL16750263 0.72 MEN1 (0.43) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL16831434 0.71 PTGER4 (0.58) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL21713699 0.71 PTGER4 (0.39) PTGER4MEN1KMT2AMAPTHTT
SCHEMBL16739001 0.70 GRIN2D (0.46) PTGER4MAPTHTTALDH1A1POLB

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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 PTGER4 1372/4885MEN1 4800/4885KMT2A 1623/4885

“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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