SCHEMBL16739110

SCHEMBL16739110

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.46
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ NR3C1 P04150 1/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ EPAS1 Q99814 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MET P08581 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL16739111 1.00 HSPB1 (0.46) HSPB1PKMALDH1A1NR3C1LPAR2
SCHEMBL16750273 0.92 HSPB1 (0.46) HSPB1PKMALDH1A1EPAS1RAB9A
SCHEMBL16751258 0.91 HSPB1 (0.45) HSPB1PKMALDH1A1EPAS1RAB9A
SCHEMBL16738885 0.83 HSPB1 (0.52) HSPB1ALDH1A1EPAS1RAB9AKMT2A
SCHEMBL16739042 0.81 HSPB1 (0.46) HSPB1ALDH1A1EPAS1RAB9AKMT2A
SCHEMBL16739041 0.76 HSPB1 (0.54) HSPB1ALDH1A1EPAS1RAB9AMAPT
SCHEMBL25368475 0.73 THRA (0.43) ALDH1A1RAB9AKMT2AMAPTMEN1
SCHEMBL622250 0.71 MAPT (0.47) PKMALDH1A1KMT2AMETMAPT
SCHEMBL26920424 0.71 PTGER4 (0.61) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL622263 0.70 ALDH1A1 (0.64) PKMALDH1A1KMT2AMAPTHTT

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 5 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-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
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

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 960/4885PKM 4709/4885ALDH1A1 4585/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HSPB1 960/4885PKM 4709/4885ALDH1A1 4585/4885

“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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