SCHEMBL13296836

SCHEMBL13296836

CCCCCCCCCCCCCc1[nH]c(-c2cccs2)nc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ ERCC1 P07992 7/20 0.47
▸ FEN1 P39748 7/20 0.47
▸ ERCC4 Q92889 7/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ GAA P10253 5/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALOX15B O15296 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ DNASE1 P24855 2/20 0.42
▸ GLA P06280 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40

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
SCHEMBL13174750 0.99 KMT2A (0.48) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13174725 0.96 KMT2A (0.49) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13174752 0.91 KMT2A (0.51) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13174903 0.86 ERCC1 (0.52) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13296832 0.84 KMT2A (0.47) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13296823 0.82 ERCC1 (0.48) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13211359 0.81 ERCC1 (0.54) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13296868 0.78 HDAC3 (0.40) ALDH1A1KDM4EMAPTHPGD
SCHEMBL13174891 0.77 ERCC1 (0.50) KMT2AERCC1FEN1ERCC4ALDH1A1
SCHEMBL13174731 0.76 MAPT (0.54) KMT2AERCC1FEN1ERCC4ALDH1A1

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
EP-2223921-B1 2-Thiophen-2-yl-oxazole, 2-Thiophen-2-yl-thiazole and 2-Thiophen-2-yl-1H-imidazole derivatives as antiviral agents SHANGHAI INST MATERIA MEDICA (CN) 2013-01-09 — — EP disclosed
US-7741348-B2 Bisheterocycle tandem compounds useful as antiviral agents, the uses thereof and the compositions comprising such compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2010-06-22 — — US disclosed
US-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-12-11 — — 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-20080306121-A1 Bisheterocycle Tandem Compounds Useful as Antiviral Agents, the Uses Thereof and the Compositions Comprising Such Compounds PCNA, HAVCR2, HCCS KMT2A 2664/4885ERCC1 235/4885FEN1 300/4885

“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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