SCHEMBL17875685

SCHEMBL17875685

Cn1ncc2cc(Br)cc(Br)c21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRNP P04156 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NOD2 Q9HC29 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NMT1 P30419 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EGFR P00533 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6523394 0.82 NMT1 (0.34) PRNPNPSR1LMNAHPGDHTT
SCHEMBL31646894 0.81
SCHEMBL16972308 0.81 MEN1 (0.41) NMT1MEN1KMT2A
SCHEMBL16728681 0.81 NMT1 (0.42) NMT1MEN1KMT2A
SCHEMBL27142029 0.81 IDO1 (0.33) NMT1
SCHEMBL31162500 0.81 IDO1 (0.35) HTTNMT1
SCHEMBL19836577 0.81 IDO1 (0.35) HTTNMT1
SCHEMBL26024416 0.77 TRPA1 (0.40) HTTNMT1
SCHEMBL31662269 0.75 TTR (0.43) HTTMEN1KMT2ATSHR
SCHEMBL31662360 0.74 ALDH1A1 (0.40) LMNAHTTALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PRNP 3048/4885NPSR1 4579/4885LMNA 2533/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PRNP 3048/4885NPSR1 4579/4885LMNA 2533/4885

“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.