SCHEMBL7935565

SCHEMBL7935565

O=C(CS)NC(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.63
SLC6A5 Q9Y345 6/20 0.63
CNR1 P21554 3/20 0.56
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.51
CNR2 P34972 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PRCP P42785 1/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNA1B Q00975 1/20 0.50
CACNB1 Q02641 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4001999 0.84 SLC6A9 (0.63) SLC6A9SLC6A5CNR1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2010289 0.83 SLC6A9 (0.62) SLC6A9SLC6A5CNR1CYP2D6CYP2C9
SCHEMBL3963341 0.79 SLC6A9 (0.58) SLC6A9SLC6A5CNR1CYP2D6CYP2C9
SCHEMBL18010560 0.78 LMNA (0.70) SLC6A9SLC6A5CNR1CNR2KMT2A
SCHEMBL12572421 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9
SCHEMBL2009331 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9
SCHEMBL2010557 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9KMT2A
SCHEMBL2009334 0.78 SLC6A9 (1.00) SLC6A9SLC6A5CYP2D6CYP2C9
SCHEMBL14678494 0.78 SLC6A9 (0.59) SLC6A9SLC6A5CNR1CYP2D6CYP2C9
SCHEMBL14676131 0.78 SLC6A9 (0.70) SLC6A9SLC6A5CNR1CYP2D6CYP2C9

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 SLC6A9 1944/4885SLC6A5 1313/4885CNR1 4451/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SLC6A9 4478/4885SLC6A5 4075/4885CNR1 334/4885

“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.