SCHEMBL7933392

SCHEMBL7933392

COc1ccc(NC(=O)CS)c(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
P2RX7 Q99572 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6561044 0.81 MAPT (0.58) MAPTMAPK1POLBTDP1HPGD
SCHEMBL5960058 0.80 MAPT (0.57) MAPTMAPK1POLBTDP1HPGD
SCHEMBL7929314 0.79 HDAC3 (0.52) MAPTMAPK1POLBTDP1HTT
SCHEMBL6558791 0.75 MAPT (0.52) MAPTMAPK1POLBTDP1HPGD
SCHEMBL3235360 0.74 HDAC3 (0.72) HDAC3HDAC1
SCHEMBL10310191 0.73 MAPT (0.50) MAPTMAPK1POLBTDP1HPGD
SCHEMBL17372671 0.72 MAPT (0.53) MAPTMAPK1POLBTDP1HPGD
SCHEMBL4341649 0.72 MAPT (0.40) MAPTMAPK1POLBTDP1HPGD
SCHEMBL3232171 0.72 HDAC1 (0.55) HDAC3HDAC1
SCHEMBL7923981 0.71 CYP1A2 (0.64) MAPTTSHRSMN1; SMN2ALDH1A1HTT

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 MAPT 1781/4885MAPK1 4301/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885MAPK1 4679/4885POLB 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.