SCHEMBL17228673

SCHEMBL17228673

CCCCCCN1C(=O)c2cccc3c(NCCCN(CC)CC)ccc(c23)C1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
MAPT P10636 3/20 0.74
POLB P06746 3/20 0.74
HTT P42858 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
RGS12 O14924 1/20 0.74
USP2 O75604 1/20 0.74
MAPK1 P28482 1/20 0.74
ATM Q13315 1/20 0.74
TLR9 Q9NR96 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
FGFR1 P11362 2/20 0.72
KDR P35968 2/20 0.72
PDGFRA P16234 1/20 0.72
DYRK3 O43781 1/20 0.65
RPS6KB1 P23443 1/20 0.65
EPHA2 P29317 1/20 0.65
FLT4 P35916 1/20 0.65

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
SCHEMBL17228671 0.91 FGFR1 (0.83) MEN1KMT2AMAPTPOLBHTT
SCHEMBL8396375 0.90 KMT2A (0.86) MEN1KMT2AMAPTPOLBHTT
SCHEMBL7799818 0.90 KMT2A (0.86) MEN1KMT2AMAPTPOLBHTT
SCHEMBL8397978 0.90 KMT2A (0.86) MEN1KMT2AMAPTPOLBHTT
SCHEMBL1505179 0.89 KMT2A (0.88) MEN1KMT2AMAPTPOLBHTT
SCHEMBL14434657 0.87 KMT2A (0.77) MEN1KMT2AMAPTPOLBHTT
SCHEMBL29165263 0.86 FGFR1 (0.80) MEN1KMT2AMAPTPOLBHTT
SCHEMBL29460431 0.85 KMT2A (1.00) MEN1KMT2AMAPTPOLBHTT
SCHEMBL372370 0.85 KMT2A (1.00) MEN1KMT2AMAPTPOLBHTT
SCHEMBL3759225 0.85 FGFR1 (0.78) MEN1KMT2AMAPTPOLBHTT

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-9458142-B2 Substituted quinones or analogues as colouring agents MERCK PATENT GMBH (DE) 2016-10-04 US disclosed
US-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS MERCK PATENT GMBH (DE) 2015-11-05 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-20150315177-A1 SUBSTITUTED QUINONES OR ANALOGUES AS COLOURING AGENTS KRT18, IK, SDHA MEN1 2894/4885KMT2A 944/4885MAPT 411/4885

“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.