SCHEMBL7923957

SCHEMBL7923957

CCSc1nnc(NC(=O)CS)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.73
ALDH1A1 P00352 7/20 0.69
RAB9A P51151 4/20 0.64
TSHR P16473 2/20 0.61
NPC1 O15118 4/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
PKM P14618 2/20 0.59
HTT P42858 2/20 0.58
HIF1A Q16665 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.57
GAA P10253 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
SCHEMBL16453857 0.86 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL28455637 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL12354891 0.84 RAB9A (0.58) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL5181389 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL11540934 0.79 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL25387786 0.77 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL12354953 0.76 KAT8 (0.65) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL12346979 0.73 TP53 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8356401 0.73 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1RAB9ATSHRNPC1
SCHEMBL1905755 0.73 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD

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 313/4885ALDH1A1 496/4885RAB9A 3098/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SMN1; SMN2 120/4885ALDH1A1 2213/4885RAB9A 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.