SCHEMBL3446185

SCHEMBL3446185

CC(=O)N1CCN(c2ncc3c(=O)c(C(=O)O)c4sc5ccccc5n4c3n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.46
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 3/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
SMO Q99835 1/20 0.38
ENPP2 Q13822 7/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 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
SCHEMBL31649144 0.88 ALDH1A1 (0.41) KDM4EMAPK1MEN1ALDH1A1HPGD
SCHEMBL31649417 0.87 PTPN11 (0.44) PTPN11MAPK1MEN1ALDH1A1HPGD
SCHEMBL13107616 0.85 PTPN11 (0.41) PTPN11KDM4EMAPK1MEN1ALDH1A1
SCHEMBL31649305 0.84 CYP1A2 (0.40) MAPK1MEN1ALDH1A1HPGDKMT2A
SCHEMBL31737569 0.83 RBP4 (0.34) KDM4EMAPK1MEN1ALDH1A1HPGD
SCHEMBL31737273 0.83 RBP4 (0.34) KDM4EMAPK1MEN1ALDH1A1HPGD
SCHEMBL13107734 0.83 ALDH1A1 (0.41) PTPN11KDM4EMAPK1MEN1ALDH1A1
SCHEMBL31649023 0.81 KCNH2 (0.38) PTPN11KDM4EMAPK1MEN1ALDH1A1
SCHEMBL31649249 0.81 MAPT (0.35) KDM4EHPGDHSD17B10NPSR1ACHE
SCHEMBL31648858 0.81 PTPN11 (0.35) PTPN11KDM4EMAPK1MEN1ALDH1A1

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
US-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20060074089-A1 Quinolone analogs SENHWA BIOSCIENCES, INC. (TW) 2006-04-06 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-20060074089-A1 Quinolone analogs NQO2, BAX, MCL1 PTPN11 2539/4885KDM4E 1268/4885MAPK1 2899/4885

“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.