SCHEMBL6174048

SCHEMBL6174048

O=[N+]([O-])c1nccc(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
S1PR4 O95977 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 3/20 0.32
DAO P14920 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSB P07858 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 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
SCHEMBL28192442 0.80 CYP1A2 (0.39) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1558545 0.80 S1PR4 (0.39) MAPTLMNAGAAMEN1KMT2A
SCHEMBL18474451 0.80 ALDH1A1 (0.39) MAPTLMNAGAAMEN1KMT2A
SCHEMBL4252080 0.80 MAPT (0.38) MAPTLMNAGAAMEN1KMT2A
SCHEMBL7682478 0.80 MAPT (0.40) MAPTLMNAGAAMEN1KMT2A
SCHEMBL2124836 0.80 MAPT (0.38) MAPTLMNAGAAMEN1KMT2A
SCHEMBL29004856 0.76 S1PR4 (0.35) MAPTLMNAGAAMEN1KMT2A
SCHEMBL29947327 0.76 KMT2A (0.38) MAPTLMNAMEN1KMT2AS1PR4
SCHEMBL21383944 0.76 KMT2A (0.38) MAPTLMNAMEN1KMT2AS1PR4
SCHEMBL28992901 0.76 ALDH1A1 (0.40) MAPTLMNAGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635993-B Substituted tricyclic heterocyclic compounds 百时美施贵宝公司 2020-05-22 CN disclosed
EP-3271360-B1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed
US-10189840-B2 Substituted tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-29 US disclosed
US-20180111936-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-04-26 US disclosed
EP-3271360-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2018-01-24 EP disclosed
WO-2016149436-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 WO disclosed
EP-1581529-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY (US) 2005-10-05 EP disclosed
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-07-15 US disclosed
WO-2004056820-A1 BENZOXAZINES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3KS WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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 (3 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-20180111936-A1 SUBSTITUTED TRICYCLIC HETEROCYCLIC COMPOUNDS CXCR3, CNKSR1, CCR3 MAPT 4701/4885LMNA 3965/4885GAA 3195/4885
US-20040138199-A1 Benzoxazines and derivatives thereof as therapeutic agents XDH, TBXA2R, TBXAS1 MAPT 4677/4885LMNA 474/4885GAA 1066/4885
US-10189840-B2 Substituted tricyclic heterocyclic compounds CXCR3, CNKSR1, CCR3 MAPT 4701/4885LMNA 3965/4885GAA 3195/4885

“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.