SCHEMBL14928233

SCHEMBL14928233

O=[N+]([O-])c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ATM Q13315 1/20 0.51
TLR9 Q9NR96 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP19A1 P11511 5/20 0.47
AAK1 Q2M2I8 1/20 0.46
PDE7A Q13946 2/20 0.40
VCAM1 P19320 1/20 0.40
PDE7B Q9NP56 1/20 0.40
CTSB P07858 1/20 0.39
ABCC1 P33527 2/20 0.39
KCNMA1 Q12791 1/20 0.39
ABCB1 P08183 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14928327 0.89 MEN1 (0.56) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL30145522 0.87 CRHBP (0.53) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL14928247 0.87 CRHBP (0.53) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL9197991 0.82 AAK1 (0.60) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL30697353 0.77 ALDH1A1 (0.61) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL7638118 0.75 ALDH1A1 (0.89) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL14571068 0.75 ALDH1A1 (0.89) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL9841019 0.75 ALDH1A1 (0.89) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL3476355 0.75 ALDH1A1 (0.89) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL4137266 0.74 ALDH1A1 (0.70) MEN1KMT2ACRHBPCRHR2ALDH1A1

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 MEN1 865/4885KMT2A 1754/4885CRHBP 3832/4885

“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.