SCHEMBL16751258

SCHEMBL16751258

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PKM P14618 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
SCHEMBL16750273 0.93 HSPB1 (0.46) HSPB1ALDH1A1KMT2ALMNAMEN1
SCHEMBL16739110 0.91 HSPB1 (0.46) HSPB1ALDH1A1KMT2ALMNAMEN1
SCHEMBL16739111 0.91 HSPB1 (0.46) HSPB1ALDH1A1KMT2ALMNAMEN1
SCHEMBL16738885 0.85 HSPB1 (0.52) HSPB1ALDH1A1KMT2ALMNAMEN1
SCHEMBL16739042 0.80 HSPB1 (0.46) HSPB1ALDH1A1KMT2ALMNAMEN1
SCHEMBL16739041 0.76 HSPB1 (0.54) HSPB1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3841711 0.74 LMNA (0.55) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL30510897 0.74 CYP19A1 (0.43) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL26039527 0.74 CYP19A1 (0.43) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL9779937 0.72 NPC1 (0.50) ALDH1A1LMNAMAPTHTTSMN1; SMN2

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 960/4885ALDH1A1 4585/4885KMT2A 627/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 HSPB1 960/4885ALDH1A1 4585/4885KMT2A 627/4885

“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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