SCHEMBL15840649

SCHEMBL15840649

CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
KMT2A Q03164 10/20 0.65
ALOX12 P18054 7/20 0.65
LMNA P02545 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 9/20 0.63
HPGD P15428 6/20 0.63
MAPT P10636 5/20 0.61
NPSR1 Q6W5P4 5/20 0.61
RECQL P46063 2/20 0.61
PKM P14618 3/20 0.60
AKT1 P31749 1/20 0.60
PTGER2 P43116 1/20 0.59
HSD17B10 Q99714 1/20 0.59
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 2/20 0.57
XBP1 P17861 1/20 0.57
DNMT1 P26358 1/20 0.57

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
SCHEMBL5401402 0.78 ALDH1A1 (1.00) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL287025 0.76 AKT1 (1.00) ALDH1A1KMT2AMEN1MAPTPKM
SCHEMBL15840511 0.76 KMT2A (1.00) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL11893078 0.75 AKT1 (0.80) ALDH1A1KMT2AMEN1PKMAKT1
SCHEMBL15840653 0.75 KMT2A (0.85) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL12173925 0.74 ALDH1A1 (0.64) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL15840526 0.74 KMT2A (1.00) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL15840646 0.73 KMT2A (1.00) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL12173922 0.73 ALDH1A1 (0.63) ALDH1A1KMT2AALOX12LMNATDP1
SCHEMBL5407138 0.72 MEN1 (1.00) ALDH1A1KMT2AMEN1PKMAKT1

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 ALDH1A1 4348/4885KMT2A 3667/4885ALOX12 3344/4885

“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.