SCHEMBL7923441

SCHEMBL7923441

COc1cc(NC(=O)CS)c2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.63
ALDH1A1 P00352 4/20 0.62
HTT P42858 2/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC1 Q13547 2/20 0.59
HDAC8 Q9BY41 1/20 0.59
MAPT P10636 4/20 0.57
HPGD P15428 2/20 0.57
TP53 P04637 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 2/20 0.54
HSP90AB1 P08238 2/20 0.54

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
SCHEMBL8402851 0.89 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL20734765 0.86 KMT2A (0.61) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL22556212 0.84 KMT2A (0.73) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL29558933 0.84 KMT2A (0.73) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL21149303 0.84 KMT2A (0.73) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL8856110 0.84 KMT2A (0.73) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL18257167 0.82 KMT2A (0.77) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL8117024 0.81 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL28468186 0.80 KMT2A (0.86) KMT2AMEN1ALDH1A1HTTHDAC6
SCHEMBL13737213 0.78 KMT2A (0.64) KMT2AMEN1ALDH1A1HTTHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 KMT2A 799/4885MEN1 938/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885MEN1 1392/4885ALDH1A1 2213/4885

“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.