SCHEMBL16738733

SCHEMBL16738733

Nc1cc(Oc2ccc(F)cc2F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 6/20 0.58
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ EPAS1 Q99814 1/20 0.48
▸ ATM Q13315 1/20 0.46
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CTSB P07858 1/20 0.38
▸ PKM P14618 1/20 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
SCHEMBL16049146 0.88 HSPB1 (0.62) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL16046439 0.88 HSPB1 (0.66) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL28657257 0.85 HSPB1 (0.59) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL29549341 0.84 HSPB1 (0.58) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL2443486 0.84 HSPB1 (0.58) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL15329532 0.84 HSPB1 (0.58) HSPB1TDP1MAPTATMMEN1
SCHEMBL16045493 0.83 HSPB1 (0.68) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL28496978 0.83 HSPB1 (0.60) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL20155384 0.83 HSPB1 (0.53) HSPB1TDP1MAPTL3MBTL1GAA
SCHEMBL16738742 0.81 EPAS1 (0.51) HSPB1TDP1L3MBTL1EPAS1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300154-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2023-01-24 — — CN disclosed
CN-112300154-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2021-02-02 — — CN disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 — — US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 — — US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 — — US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 — — US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 — — US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 — — US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 — — US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 — — US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 — — US disclosed
WO-2015081189-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 — — WO disclosed
WO-2015081189-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 — — WO disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 — — US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 — — US disclosed
US-20150148375-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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HSPB1 960/4885TDP1 2081/4885MAPT 1648/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HSPB1 960/4885TDP1 2081/4885MAPT 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.

Send feedback