SCHEMBL16739068

SCHEMBL16739068

CNc1ccc(Br)c(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
MLNR O43193 1/20 0.40
MMP1 P03956 1/20 0.40
MPO P05164 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP19A1 P11511 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL22325902 0.93 MAPT (0.39) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22325843 0.85 MAPT (0.41) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL16739001 0.82 GRIN2D (0.46) MAPTALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL22326077 0.82 MAPT (0.38) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL16738867 0.81 ALDH1A1 (0.43) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL16739087 0.80 MAPT (0.45) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22325789 0.80 MAPT (0.37) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL22326036 0.79 PIN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL22325996 0.78 ALDH1A1 (0.43) MAPTALDH1A1NPSR1ATMMEN1
SCHEMBL16739124 0.78 ALDH1A1 (0.43) MAPTALDH1A1NPSR1ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO 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-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 MAPT 1648/4885ALDH1A1 4585/4885NPSR1 4540/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MAPT 1648/4885ALDH1A1 4585/4885NPSR1 4540/4885

“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.