SCHEMBL15836690

SCHEMBL15836690

O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ ALDH1A1 P00352 11/20 0.63
▸ RECQL P46063 1/20 0.63
▸ GAA P10253 3/20 0.62
▸ KMT2A Q03164 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ MAPT P10636 6/20 0.56
▸ PKM P14618 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ LMNA P02545 5/20 0.55
▸ HTT P42858 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ USP2 O75604 2/20 0.55
▸ STAT3 P40763 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL15836647 0.84 KMT2A (0.70) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL13454767 0.82 KMT2A (0.67) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL12903526 0.81 CA1 (0.61) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL12903658 0.81 KMT2A (0.67) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL17066545 0.80 KMT2A (0.61) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL17066650 0.80 KMT2A (0.67) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL13454709 0.79 MEN1 (0.66) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL13454762 0.79 MAPT (0.60) POLBALDH1A1GAAKMT2AMEN1
SCHEMBL15836638 0.79 KMT2A (0.66) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL13454756 0.79 MEN1 (0.66) POLBALDH1A1GAAKMT2AMEN1

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 — — US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 — — 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 POLB 3390/4885ALDH1A1 4348/4885RECQL 3452/4885

“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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