SCHEMBL7932199

SCHEMBL7932199

O=C(CS)Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43

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
SCHEMBL4422197 0.78 NAPRT (0.57) MEN1POLBMAPTKMT2ACYP2C19
SCHEMBL253778 0.77 HDAC1 (0.65) MEN1POLBMAPTKMT2AL3MBTL1
Methane SCHEMBL7236825 0.75 HDAC1 (0.62) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL4279654 0.75 HDAC1 (0.62) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL6566875 0.72 FGFR1 (0.50) MEN1POLBMAPTKMT2A
Carbamic Acid SCHEMBL31418353 0.72 KDM1A (0.59) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL6568509 0.71 POLB (0.52) MEN1POLBMAPTKMT2ACYP2C19
SCHEMBL7124777 0.70 MAPT (0.68) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL1509976 0.70 MEN1 (0.64) MEN1POLBMAPTKMT2AL3MBTL1
SCHEMBL6565703 0.70 EPHX1 (0.66)

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 938/4885POLB 1320/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885POLB 3799/4885MAPT 2849/4885

“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.