SCHEMBL7923966

SCHEMBL7923966

CCn1nccc1NC(=O)CS

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSK P43235 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.41
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIK3CA P42336 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL6360441 0.87 MEN1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13850731 0.84 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL12630084 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3766193 0.81 RAB9A (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13170046 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1863235 0.79 CTSK (0.44) HPGDCTSKRAB9APOLB
SCHEMBL1869411 0.79 CTSK (0.44) HPGDCTSKRAB9APOLB
SCHEMBL222210 0.76 KMT2A (0.42) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2243691 0.74 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1982137 0.74 TAAR1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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 MEN1 938/4885KMT2A 799/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885ALDH1A1 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.