SCHEMBL6748396

SCHEMBL6748396

CN1C(=O)C(Cc2cccc(Br)c2)Cc2cc(C(=O)NCc3ccc(F)cc3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
RORC P51449 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR2 P34972 1/20 0.40
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ROCK2 O75116 1/20 0.38
MAPK1 P28482 1/20 0.38
CXCR3 P49682 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PRKAA2 P54646 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6747401 0.85 PTK2 (0.38) KMT2AMAPT
SCHEMBL6922997 0.84 L3MBTL1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL8345374 0.74 RORC (0.44) RORCDRD2ROCK2CXCR3PRKAA2
SCHEMBL6745755 0.69 MAPT (0.47) SMN1; SMN2ROCK2POLBMAPTLMNA
SCHEMBL31324991 0.69 LMNA (0.60) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL6289334 0.69 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2ACNR2ALDH1A1
SCHEMBL6110527 0.68 PRKAA2 (0.54) SMN1; SMN2RORCMEN1KMT2ADRD2
SCHEMBL6111292 0.68 PRKAA2 (0.54) SMN1; SMN2RORCMEN1KMT2ADRD2
SCHEMBL6744463 0.67 HPGD (0.43) SMN1; SMN2STAMBPCOPS5MEN1KMT2A
SCHEMBL8345369 0.64 MAPT (0.40) SMN1; SMN2MEN1KMT2ADRD2ALDH1A1

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
US-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US claimed
US-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 SMN1; SMN2 996/4885STAMBP 4467/4885COPS5 2682/4885

“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.