SCHEMBL22028064

SCHEMBL22028064

O=[N+]([O-])c1cc2c(cc1Br)CC2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
TYMS P04818 1/20 0.47
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CTSB P07858 1/20 0.38
CYP19A1 P11511 1/20 0.37
LMNA P02545 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL30997742 1.00 ALDH1A1 (0.61) ALDH1A1MAPTTYMSPKMMAPK1
SCHEMBL3519263 0.92 MAPT (0.57) ALDH1A1MAPTTYMSPKMMAPK1
SCHEMBL4614040 0.85 ALDH1A1 (0.50) ALDH1A1MAPTTYMSPKMMAPK1
SCHEMBL31335752 0.82 MAPT (0.60) ALDH1A1MAPTTYMSPKM
SCHEMBL29557821 0.82 MAPT (0.60) ALDH1A1MAPTTYMSPKM
SCHEMBL417912 0.82 MAPT (0.60) ALDH1A1MAPTTYMSPKM
SCHEMBL34474086 0.82 MAPT (0.51) ALDH1A1MAPTTYMSPKMMAPK1
SCHEMBL7162505 0.81 TYMS (0.53) ALDH1A1MAPTTYMSPKMMAPK1
SCHEMBL1090688 0.81 ALDH1A1 (0.51) ALDH1A1MAPTTYMSPKMMAPK1
SCHEMBL9452645 0.81 ALDH1A1 (0.52) ALDH1A1MAPTPKMMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453628-B2 Condensed cyclic compound, composition including the same, and organic light-emitting device including thin film formed from the composition SAMSUNG DISPLAY CO., LTD. (KR) 2022-09-27 US disclosed
EP-3822258-B1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION SAMSUNG DISPLAY CO LTD (KR) 2022-06-15 EP disclosed
CN-111269078-A Condensed-cyclic compound, composition comprising the same, and organic light-emitting device 三星显示有限公司 2020-06-12 CN disclosed
US-20200181045-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-11 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-11453628-B2 Condensed cyclic compound, composition including the same, and organic light-emitting device including thin film formed from the composition CRY1, CRY2, NCAPH ALDH1A1 2800/4885MAPT 270/4885TYMS 2725/4885
US-20200181045-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION CRY1, CRY2, NCAPH ALDH1A1 2800/4885MAPT 270/4885TYMS 2725/4885

“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.