SCHEMBL7931398

SCHEMBL7931398

COc1ccc(NC(=O)CS)cc1O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
ENPP1 P22413 1/20 0.48
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL7930456 0.87 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1634709 0.84 GAA (0.54) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30675626 0.84 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20679586 0.84 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10886971 0.84 POLB (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL7930522 0.83 MAP2K1 (0.56) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL7934936 0.83 ALDH1A1 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL21405761 0.83 MAPT (0.50) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6999185 0.82 L3MBTL1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7284429 0.80 TUBB4A (0.59) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1

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 799/4885SMN1; SMN2 313/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885SMN1; 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.