SCHEMBL17035153

SCHEMBL17035153

O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
PDE7A Q13946 3/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PDE7B Q9NP56 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF18A Q8NI77 1/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL5214993 0.90 RAB9A (0.63) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL26191608 0.89 RAB9A (0.59) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL25561307 0.87 MAPK1 (0.52) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL17870894 0.85 RAB9A (0.55) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL15791110 0.84 TDP1 (0.53) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL17035132 0.83 ALDH1A1 (0.53) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL16491549 0.83 PDE7A (0.52) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL6125034 0.83 MAPK1 (0.63) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL17870883 0.83 RAB9A (0.59) MAPTHPGDRAB9ANPC1NFKB1
SCHEMBL17035141 0.82 ALDH1A1 (0.75) MAPTALDH1A1TDP1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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 (1 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 MAPT 1406/4885HPGD 1997/4885RAB9A 2456/4885

“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.