SCHEMBL3104419

SCHEMBL3104419

C=Cc1c(C(=O)OC)cnc2ccc(=O)n(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 3/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.34
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PAX8 Q06710 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL3102544 0.85 JAK2 (0.35)
SCHEMBL3091352 0.82 KDM4E (0.41) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3095482 0.81 TSHR (0.42) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3374526 0.76 PIK3CA (0.31)
SCHEMBL3101274 0.74 BRPF1 (0.33) MEN1KMT2AMAPK1SRC
SCHEMBL3982019 0.73 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3377466 0.71 MAOB (0.40) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL3098956 0.66 TGFBR1 (0.32) ESR2BRD4
SCHEMBL3376345 0.66 MEN1 (0.32) ALDH1A1MEN1KMT2AHTT
SCHEMBL18299382 0.65 PDXK (0.37) ALDH1A1KDM4EMEN1KMT2ATSHR

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 ALDH1A1 2362/4885KDM4E 1893/4885MEN1 594/4885

“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.