SCHEMBL3051209

SCHEMBL3051209

CCOC(=O)c1ccc(Oc2cccc3c2CCN3CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 4/20 0.44
USP2 O75604 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3061620 0.91 KDM4E (0.47) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3055931 0.88 KDM4E (0.48) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3047408 0.88 TDP1 (0.47) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3050849 0.85 ALDH1A1 (0.51) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3052258 0.85 PRKAA2 (0.41) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3052257 0.84 FAAH (0.44) TDP1NPC1LMNASMN1; SMN2HTT
SCHEMBL3065125 0.83 FAAH (0.43) KMT2AMAPTALDH1A1KDM4ETDP1
SCHEMBL3060416 0.83 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL3065128 0.81 FAAH (0.43) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL3057193 0.81 LMNA (0.41) MEN1KMT2AMAPTPOLBALDH1A1

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 MEN1 275/4885KMT2A 2904/4885MAPT 4138/4885

“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.