SCHEMBL6513079

SCHEMBL6513079

CNc1ccc(C(=O)OC)cc1NC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPT P10636 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ MDH1 P40925 2/20 0.41
▸ MDH2 P40926 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.38

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
SCHEMBL1543157 0.89 HTT (0.48) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13936405 0.81 CA1 (0.49) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL30159616 0.80 KDM4A (0.41) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23535771 0.80 KDM4A (0.41) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1206765 0.79 HDAC3 (0.53) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4490699 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1206741 0.79 BRD4 (0.45) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL16318447 0.77 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL17238956 0.75 PDK1 (0.55) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL21056153 0.75 KDM4E (0.50) HTTKDM4EALDH1A1HSD17B10HPGD

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-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PHARMACIA CORPORATION 2005-01-13 — — US disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 — — WO 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-20050009054-A1 Compounds having a fused, bicyclic moiety for binding to the minor groove of dsDNA PCNA, POLM, PBRM1 HTT 161/4885KDM4E 3756/4885ALDH1A1 4554/4885

“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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