SCHEMBL15840646

SCHEMBL15840646

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 1.00
MEN1 O00255 14/20 1.00
ALDH1A1 P00352 13/20 1.00
HPGD P15428 7/20 1.00
NPSR1 Q6W5P4 6/20 1.00
LMNA P02545 4/20 1.00
PKM P14618 2/20 1.00
NPC1 O15118 1/20 1.00
BLM P54132 1/20 1.00
MAPT P10636 9/20 0.81
PTGER2 P43116 1/20 0.81
ALOX12 P18054 5/20 0.81
TDP1 Q9NUW8 4/20 0.81
RECQL P46063 2/20 0.81
POLB P06746 3/20 0.79
XBP1 P17861 1/20 0.79
DNMT1 P26358 1/20 0.79
PTPN7 P35236 1/20 0.79
DUSP3 P51452 1/20 0.79
PLEC Q15149 1/20 0.79

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
SCHEMBL15840653 0.91 KMT2A (0.85) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL15840511 0.90 KMT2A (1.00) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL15840526 0.82 KMT2A (1.00) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL13212128 0.81 MEN1 (1.00) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL15840522 0.81 KMT2A (0.75) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL13212121 0.80 MEN1 (1.00) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL15840627 0.78 MEN1 (1.00) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL15840608 0.76 MEN1 (0.77) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL5401402 0.76 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL287025 0.74 AKT1 (1.00) KMT2AMEN1ALDH1A1PKMMAPT

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.