SCHEMBL7937661

SCHEMBL7937661

O=C(CS)Nc1ccc(CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.47
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL1509976 0.87 MEN1 (0.64) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL7933329 0.85 POLB (0.50) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL14271185 0.81 NR1H4 (0.60) MEN1KMT2APOLBGAA
SCHEMBL2636162 0.80 NPC1 (0.61) MEN1KMT2APOLBMAPTGAA
SCHEMBL13652580 0.80 GAA (0.59) MEN1KMT2APOLBMAPTGAA
SCHEMBL18778776 0.80 POLB (0.55) MEN1KMT2APOLBMAPTGAA
SCHEMBL4787002 0.80 KMT2A (0.51) MEN1KMT2APOLBGAAF2
SCHEMBL19154569 0.80 CA1 (0.58) MEN1KMT2APOLBGAAF2
SCHEMBL7934492 0.79 SLC1A3 (0.60) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL3027410 0.79 CYP1A1 (0.60) MEN1KMT2APOLBMAPTL3MBTL1

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 799/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885POLB 3799/4885

“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.