SCHEMBL18979820

SCHEMBL18979820

O=[N+]([O-])c1nc(Br)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.37
NQO2 P16083 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
S1PR4 O95977 2/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
TYMS P04818 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
RIPK1 Q13546 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
JAK2 O60674 2/20 0.31

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
SCHEMBL30370409 1.00 MAPT (0.37) MAPTNQO2NPC1RAB9ASMN1; SMN2
SCHEMBL5149307 0.81 MAPT (0.34) MAPTNQO2NPC1RAB9ASMN1; SMN2
SCHEMBL28029112 0.81 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1CYP2D6
SCHEMBL1923229 0.79 BACE1 (0.37) MAPTNQO2ALDH1A1TYMSCYP2D6
SCHEMBL10309700 0.79 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2S1PR4
SCHEMBL10025751 0.79 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2S1PR4
SCHEMBL1922830 0.79 TDP1 (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL1809848 0.79 SMN1; SMN2 (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30152695 0.79 SMN1; SMN2 (0.37) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2986307 0.75 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2S1PR4

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
CN-108689942-B Nitrogen-containing bicyclic compound, and preparation method and application thereof 广东东阳光药业有限公司 2023-06-09 CN disclosed
CN-116063240-A Organic electroluminescent multi-host material, luminescent device and application 宁波卢米蓝新材料有限公司 2023-05-05 CN disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 MAPT 1824/4885NQO2 1713/4885NPC1 1611/4885

“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.