SCHEMBL16739124

SCHEMBL16739124

O=[N+]([O-])c1c(O)ccc(Br)c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 4/20 0.40
THRA P10827 3/20 0.40
GPR35 Q9HC97 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PIN1 Q13526 1/20 0.37
SOS1 Q07889 1/20 0.37
S100A4 P26447 1/20 0.37
CTSB P07858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL11012637 0.87 ALDH1A1 (0.47) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL22325996 0.82 ALDH1A1 (0.43) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL16738867 0.82 ALDH1A1 (0.43) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL16739087 0.81 MAPT (0.45) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL26654588 0.79 GRIN2D (0.44) ALDH1A1MAPTNPSR1GPR35MEN1
SCHEMBL16739068 0.78 MAPT (0.43) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL22325808 0.78 BRD4 (0.43) ALDH1A1MAPTATMNPSR1KDM4E
SCHEMBL22325766 0.77 MEN1 (0.40) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL22555908 0.76 ALDH1A1 (0.54) ALDH1A1MAPTATMNPSR1THRB
SCHEMBL22325843 0.75 MAPT (0.41) ALDH1A1MAPTATMNPSR1MEN1

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 ALDH1A1 4585/4885MAPT 1648/4885ATM 2415/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 ALDH1A1 4585/4885MAPT 1648/4885ATM 2415/4885

“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.