SCHEMBL3095482

SCHEMBL3095482

COC(=O)c1cnc2ccc(=O)n(C)c2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL3091352 0.85 KDM4E (0.41) TSHRHTTKDM4EALDH1A1KMT2A
SCHEMBL3104419 0.81 ALDH1A1 (0.38) TSHRHTTKDM4EALDH1A1KMT2A
SCHEMBL3377466 0.74 MAOB (0.40) HTTKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3109297 0.74 DAO (0.35)
SCHEMBL30236914 0.74 L3MBTL1 (0.33) HTTALDH1A1L3MBTL1MAPTGAA
SCHEMBL3375679 0.74 L3MBTL1 (0.33) HTTALDH1A1L3MBTL1MAPTGAA
SCHEMBL28192083 0.71 KDM4E (0.42) TSHRKDM4EALDH1A1KMT2ABRD4
SCHEMBL3860536 0.71 L3MBTL1 (0.48) TSHRHTTKDM4EALDH1A1KMT2A
SCHEMBL3982019 0.71 KDM4E (0.46) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL22490596 0.68 CYP1A2 (0.36) TSHRALDH1A1KMT2AMEN1L3MBTL1

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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
EP-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 TSHR 4763/4885HTT 2752/4885KDM4E 1893/4885

“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.