SCHEMBL15840653

SCHEMBL15840653

CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C)cc3)cc2)s1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.85
MEN1 O00255 12/20 0.85
ALDH1A1 P00352 11/20 0.85
NPSR1 Q6W5P4 6/20 0.85
MAPT P10636 6/20 0.85
PTGER2 P43116 1/20 0.85
HPGD P15428 6/20 0.85
ALOX12 P18054 6/20 0.85
LMNA P02545 5/20 0.85
TDP1 Q9NUW8 4/20 0.85
RECQL P46063 2/20 0.85
POLB P06746 2/20 0.82
PKM P14618 2/20 0.82
XBP1 P17861 1/20 0.82
DNMT1 P26358 1/20 0.82
PTPN7 P35236 1/20 0.82
DUSP3 P51452 1/20 0.82
PLEC Q15149 1/20 0.82
GPR35 Q9HC97 1/20 0.82
NPC1 O15118 1/20 0.82

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
SCHEMBL15840511 0.92 KMT2A (1.00) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL15840646 0.91 KMT2A (1.00) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL15840526 0.84 KMT2A (1.00) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL13212128 0.83 MEN1 (1.00) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL11893076 0.78 AKT1 (0.77) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL5401402 0.78 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL287025 0.76 AKT1 (1.00) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL11893078 0.75 AKT1 (0.80) KMT2AMEN1ALDH1A1POLBPKM
SCHEMBL15840649 0.75 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL15840534 0.73 MEN1 (0.75) KMT2AMEN1ALDH1A1NPSR1MAPT

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-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 KMT2A 3667/4885MEN1 3121/4885ALDH1A1 4348/4885

“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.