SCHEMBL7930548

SCHEMBL7930548

COC(=O)c1ccsc1NC(=O)CS

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 3/20 0.60
POLB P06746 2/20 0.55
CNR2 P34972 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK10 P53779 3/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
MAPK8 P45983 1/20 0.47

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
SCHEMBL4753012 0.84 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13789666 0.84 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11578842 0.81 KMT2A (0.69) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL5063495 0.81 KMT2A (0.64) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13040501 0.81 KMT2A (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4752212 0.81 NPC1 (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL31469807 0.81 KDM4E (0.61) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4958305 0.80 NPC1 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4066836 0.80 KMT2A (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL23413572 0.79 NPC1 (0.76) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 938/4885SMN1; SMN2 313/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KMT2A 3093/4885MEN1 1392/4885SMN1; SMN2 120/4885

“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.