SCHEMBL16738885

SCHEMBL16738885

CNc1ccc(Br)c(Oc2ccc(F)cc2F)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 5/20 0.52
▸ EPAS1 Q99814 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ PTGS2 P35354 2/20 0.37

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
SCHEMBL16750273 0.86 HSPB1 (0.46) HSPB1EPAS1MAPTTDP1HTT
SCHEMBL16751258 0.85 HSPB1 (0.45) HSPB1EPAS1MAPTHTTSMN1; SMN2
SCHEMBL16739110 0.83 HSPB1 (0.46) HSPB1EPAS1MAPTTDP1HTT
SCHEMBL16739111 0.83 HSPB1 (0.46) HSPB1EPAS1MAPTTDP1HTT
SCHEMBL16739042 0.83 HSPB1 (0.46) HSPB1EPAS1MAPTTDP1HTT
SCHEMBL16739041 0.82 HSPB1 (0.54) HSPB1EPAS1MAPTTDP1HTT
SCHEMBL16739080 0.80 HSPB1 (0.38) HSPB1EPAS1MAPTGAAALDH1A1
SCHEMBL16738728 0.78 HSPB1 (0.54) HSPB1EPAS1MAPTTDP1HTT
SCHEMBL16739001 0.77 GRIN2D (0.46) MAPTTDP1HTTL3MBTL1SMN1; SMN2
SCHEMBL22326036 0.76 PIN1 (0.42) HTTGAASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918990-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2018-03-20 — — US disclosed
US-9918990-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2018-03-20 — — US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 — — US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 — — US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 — — US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 — — US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 — — US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 — — US disclosed
WO-2015081203-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 — — WO disclosed
WO-2015081203-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 — — WO disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 — — US disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 — — US disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 — — 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 (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-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HSPB1 960/4885EPAS1 1840/4885MAPT 1648/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HSPB1 960/4885EPAS1 1840/4885MAPT 1648/4885

“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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