SCHEMBL19254473

SCHEMBL19254473

CCOC(=O)NCCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)Nc1nc(=O)cc(C)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ EPHX1 P07099 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL15119390 0.91 ACHE (0.42) EPHX2ALDH1A1
SCHEMBL19254481 0.91 EPHX2 (0.38) EPHX2ALDH1A1TSHRHSD17B10
SCHEMBL13609067 0.87 EPHX2 (0.41) EPHX2BRD4
SCHEMBL12346230 0.87 EPHX2 (0.38) EPHX2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL13126267 0.87 EPHX1 (0.47) EPHX2ALDH1A1EPHX1HTT
SCHEMBL12462484 0.87 EPHX1 (0.47) EPHX2ALDH1A1EPHX1HTT
SCHEMBL18473758 0.87 EPHX1 (0.47) EPHX2ALDH1A1EPHX1HTT
SCHEMBL14617510 0.87 CNR2 (0.35) EPHX2ALDH1A1EPHX1KDM4EGAA
SCHEMBL27047926 0.87 TDP1 (0.44) KDM4EGAANPSR1BRD4
SCHEMBL21122923 0.86 TSHR (0.44) EPHX2ALDH1A1EPHX1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233745-A1 UREIDOPYRIMIDONE SUPRAMOLECULAR COMPLEXES FOR COMPOUND DELIVERY INTO CELLS TU EINDHOVEN (NL) 2017-08-17 — — 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-20170233745-A1 UREIDOPYRIMIDONE SUPRAMOLECULAR COMPLEXES FOR COMPOUND DELIVERY INTO CELLS APOL1, UFL1, UBE2L6 EPHX2 2630/4885ALDH1A1 3459/4885EPHX1 3481/4885

“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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