SCHEMBL15836654

SCHEMBL15836654

O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCC1

nearest known ligand 0.98

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.98
▸ GAA P10253 1/20 0.98
▸ RECQL P46063 1/20 0.80
▸ POLB P06746 2/20 0.78
▸ KMT2A Q03164 3/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ MAPT P10636 3/20 0.65
▸ LMNA P02545 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ HPGD P15428 1/20 0.62
▸ ALOX12 P18054 1/20 0.62

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
SCHEMBL15836650 1.00 ALDH1A1 (0.98) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL15836677 0.87 POLB (1.00) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL15836683 0.85 ALDH1A1 (0.80) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL5432715 0.78 MAPT (1.00) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL15836640 0.78 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL5527258 0.78 MAPT (0.74) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL15836690 0.76 POLB (0.64) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL15840531 0.76 ALDH1A1 (0.91) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL15840664 0.76 LMNA (0.72) ALDH1A1GAARECQLPOLBKMT2A
SCHEMBL10125733 0.75 MAPT (0.70) ALDH1A1GAARECQLKMT2AMEN1

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 ALDH1A1 4348/4885GAA 3478/4885RECQL 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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