SCHEMBL21459869

SCHEMBL21459869

CC(C)(C)OC(=O)N(C(=O)O)c1c(Br)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NR1D1 P20393 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TTR P02766 1/20 0.30

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
SCHEMBL19776044 0.94 LMNA (0.39) LMNAMAPK1MAPTHTTPOLB
SCHEMBL21874611 0.83 LMNA (0.32) LMNAMAPK1MAPTHTTKMT2A
SCHEMBL18424786 0.80 GPR35 (0.41) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL21942179 0.80 LMNA (0.36) LMNAMAPK1MAPTHTTPOLB
SCHEMBL23004652 0.80 AAK1 (0.34) MAPK1MAPTMEN1KMT2ANR1D1
SCHEMBL19783079 0.79 PKM (0.36) LMNAMAPK1MAPTNR1D1NR1H3
SCHEMBL21459897 0.79 CYP1A2 (0.47) MAPTHTTKMT2ATDP1ALDH1A1
SCHEMBL21326464 0.78 MAPK1 (0.43) LMNAMAPK1MAPTNR1D1NR1H3
SCHEMBL21459919 0.78 KCNH2 (0.34) NR1D1NR1H3ALDH1A1KCNH2
SCHEMBL25366926 0.77 LMNA (0.35) LMNAMAPK1MAPTHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484881-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 — — EP disclosed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — 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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 LMNA 1453/4885MAPK1 3048/4885MAPT 1825/4885

“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.

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