SCHEMBL14928263

SCHEMBL14928263

C=Cc1ccc(-c2ccc([N+](=O)[O-])c(Br)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.48
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
VCAM1 P19320 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 3/20 0.34
CTSB P07858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL16956776 0.86 CYP19A1 (0.43) AAK1MAPTTDP1POLBMEN1
SCHEMBL9197991 0.84 AAK1 (0.60) AAK1MAPTTDP1POLBMEN1
SCHEMBL30145522 0.80 CRHBP (0.53) AAK1MAPTTDP1POLBMEN1
SCHEMBL14928247 0.80 CRHBP (0.53) AAK1MAPTTDP1POLBMEN1
SCHEMBL16958918 0.76 MAPT (0.55) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL99723 0.74 ALDH5A1 (0.58) AAK1MAPTCYP19A1ALDH1A1KDM4E
SCHEMBL6226141 0.74 ERN1 (0.43) MAPTTDP1POLBMEN1KMT2A
SCHEMBL22654098 0.74 TDP1 (0.44) MAPTTDP1POLBMEN1KMT2A
SCHEMBL8838444 0.73 APP (0.53) MAPTPOLBCYP19A1ALDH1A1LMNA
SCHEMBL214229 0.73 ALDH1A1 (0.40) AAK1MAPTTDP1POLBMEN1

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 2210/4885MAPT 2356/4885TDP1 2638/4885

“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.