SCHEMBL7933652

SCHEMBL7933652

COc1ccc(-c2nnc(NC(=O)CS)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
HPGD P15428 2/20 0.71
RAB9A P51151 8/20 0.71
KDM4E B2RXH2 7/20 0.71
NPC1 O15118 6/20 0.71
MAPT P10636 5/20 0.71
KMT2A Q03164 3/20 0.71
HDAC1 Q13547 1/20 0.68
HDAC2 Q92769 1/20 0.68
CSNK2A2 P19784 2/20 0.62
CSNK2A1 P68400 2/20 0.62
MEN1 O00255 2/20 0.60
RXFP1 Q9HBX9 1/20 0.60
DDX3X O00571 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL19538801 0.88 SMN1; SMN2 (0.73) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL17713928 0.86 SMN1; SMN2 (0.71) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL29047597 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL7925080 0.82 HDAC1 (0.71) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL7930408 0.82 HDAC1 (0.67) SMN1; SMN2HPGDKDM4EMAPTKMT2A
SCHEMBL7929987 0.81 NPC1 (0.63) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL7933867 0.80 KDM4E (0.74) SMN1; SMN2HPGDRAB9AKDM4EMAPT
SCHEMBL19520572 0.79 SMN1; SMN2 (0.61) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL15617121 0.79 RAB9A (0.68) SMN1; SMN2HPGDRAB9AKDM4ENPC1
SCHEMBL17318637 0.76 CSNK2A2 (0.81) SMN1; SMN2HPGDRAB9AKDM4ENPC1

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 SMN1; SMN2 313/4885HPGD 194/4885RAB9A 3098/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SMN1; SMN2 120/4885HPGD 599/4885RAB9A 1619/4885

“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.