SCHEMBL20599280

SCHEMBL20599280

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.37
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21713699 0.88 PTGER4 (0.39) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL16738942 0.76 PTGER4 (0.38) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL16750263 0.74 MEN1 (0.43) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL29558653 0.74 MEN1 (0.43) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL16831434 0.73 PTGER4 (0.58) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL18197380 0.73 PTGER4 (0.39) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL16831028 0.73 AR (0.37) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL20599279 0.72 PTGER4 (0.36) PTGER4MAPTNPC1RAB9AMEN1
SCHEMBL16739001 0.72 GRIN2D (0.46) PTGER4MAPTHTTALDH1A1POLB
SCHEMBL26654613 0.70 PTGER4 (0.39) PTGER4MAPTNPC1RAB9AMEN1

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 1372/4885MAPT 1861/4885NPC1 405/4885

“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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