SCHEMBL13828623

SCHEMBL13828623

O=[N+]([O-])c1ccc(Br)cc1-c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
GSTP1 P09211 1/20 0.46
S100A4 P26447 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
MAPT P10636 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL13828956 0.91 GSTP1 (0.44) CYP2A6GSTP1ALDH1A1MEN1KMT2A
SCHEMBL16946920 0.88 CYP2A6 (0.47) CYP2A6GSTP1S100A4TRPV1ALDH1A1
SCHEMBL15796866 0.86 ALDH1A1 (0.54) CYP2A6GSTP1S100A4TRPV1ALDH1A1
SCHEMBL15801518 0.85 ALDH1A1 (0.53) CYP2A6GSTP1S100A4TRPV1ALDH1A1
SCHEMBL28666971 0.83 ALDH1A1 (0.50) GSTP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14979389 0.82 ALDH1A1 (0.61) GSTP1S100A4ALDH1A1MEN1KMT2A
SCHEMBL15790413 0.82 ALDH1A1 (0.61) S100A4TRPV1ALDH1A1MEN1KMT2A
SCHEMBL30239985 0.82 GSTP1 (0.53) GSTP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28988353 0.82 GSTP1 (0.53) GSTP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15876274 0.82 TSHR (0.50) CYP2A6GSTP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-8808880-B2 Condensed-cyclic compound, organic light-emitting device comprising the same, and flat panel display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-19 US disclosed
US-8808880-B2 Condensed-cyclic compound, organic light-emitting device comprising the same, and flat panel display apparatus SAMSUNG DISPLAY CO., LTD. (KR) 2014-08-19 US disclosed
WO-2014077558-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE FOR SAME 덕산하이메탈(주) (KR) 2014-05-22 WO disclosed
US-20120286247-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-11-15 US disclosed
US-20120286247-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-11-15 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-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 CYP2A6 2749/4885GSTP1 2168/4885S100A4 2055/4885
US-20120286247-A1 CONDENSED-CYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, AND FLAT PANEL DISPLAY APPARATUS CCND1, CCND2, CCNE2 CYP2A6 1595/4885GSTP1 2870/4885S100A4 3624/4885

“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.