SCHEMBL14928282

SCHEMBL14928282

O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ABCG2 Q9UNQ0 5/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CYP19A1 P11511 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ABCC1 P33527 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
SCHEMBL14928247 0.85 CRHBP (0.53) AAK1CRHBPCRHR2CYP19A1ALDH1A1
SCHEMBL30145522 0.85 CRHBP (0.53) AAK1CRHBPCRHR2CYP19A1ALDH1A1
SCHEMBL28156927 0.81 AAK1 (0.52) AAK1NPC1RAB9ACYP19A1ALDH1A1
SCHEMBL27844725 0.79 ALDH1A1 (0.59) NPC1RAB9AABCG2CRHBPCRHR2
SCHEMBL9197991 0.79 AAK1 (0.60) AAK1CYP19A1ALDH1A1TDP1MAPT
SCHEMBL19541481 0.78 CES2 (0.54) NPC1RAB9AABCG2CRHBPCRHR2
SCHEMBL19541228 0.76 MEN1 (0.50) TP53NPC1RAB9ACRHBPCRHR2
SCHEMBL16919513 0.76 ALDH1A1 (0.59) AAK1TP53NPC1RAB9AABCG2
SCHEMBL22604036 0.74 MAPK1 (0.62) NPC1RAB9AABCG2ALDH1A1MAPT
SCHEMBL14928233 0.74 MEN1 (0.51) AAK1CRHBPCRHR2CYP19A1ALDH1A1

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-8828559-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-09 US disclosed
US-8828559-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2014-09-09 US disclosed
US-20130113367-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-09 US disclosed
US-20130113367-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-05-09 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-20130113367-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TELO2, ARL1, CRY1 AAK1 2210/4885TP53 2919/4885NPC1 4314/4885

“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.