SCHEMBL1063193

SCHEMBL1063193

CCOC(=O)CN(C)c1c(C(=O)OCC)c(=O)n(Cc2ccc(OC)cc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ P2RX4 Q99571 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3402714 0.93 EDNRB (0.51) FEN1MEN1KMT2AP2RX4KDM4E
SCHEMBL1061448 0.83 L3MBTL1 (0.65) FEN1MEN1KMT2AP2RX4KDM4E
SCHEMBL14780906 0.81 FEN1 (0.54) FEN1MEN1KMT2AP2RX4KDM4E
SCHEMBL1061190 0.80 KDM4E (0.53) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL13838704 0.76 ALDH1A1 (0.62) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL10487954 0.75 MEN1 (0.60) MEN1KMT2AP2RX4KDM4EALDH1A1
SCHEMBL20654248 0.74 ALDH1A1 (0.56) FEN1MEN1KMT2AP2RX4KDM4E
SCHEMBL3402710 0.74 EDNRB (0.50) FEN1MEN1KMT2AP2RX4KDM4E
SCHEMBL6086588 0.73 ALDH1A1 (0.59) FEN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL13294546 0.73 CDK1 (0.51) MEN1KMT2AALDH1A1GAAMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 — — EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 FEN1 4451/4885MEN1 1922/4885KMT2A 453/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 FEN1 4511/4885MEN1 2094/4885KMT2A 386/4885

“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.

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