SCHEMBL7937673

SCHEMBL7937673

O=C(CS)Nc1ccc(Cl)nc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
KCNQ3 O43525 12/20 0.55
KCNQ2 O43526 12/20 0.55
KCNE1 P15382 9/20 0.55
KCNQ1 P51787 9/20 0.55
BACE1 P56817 1/20 0.54
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL3306012 0.84 KDM4E (0.62) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL5618326 0.83 ALDH1A1 (0.57) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12182424 0.83 ALDH1A1 (0.57) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30568974 0.80 KCNQ3 (0.64) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6361424 0.80 KCNQ3 (0.64) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7930779 0.79 HDAC1 (0.48) HDAC1HDAC6
SCHEMBL7930570 0.79 HDAC1 (0.48) HDAC1HDAC6
SCHEMBL9188646 0.79 ALDH1A1 (0.53) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2436172 0.78 KCNQ3 (0.67) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL16061441 0.78 HDAC3 (0.68) ALDH1A1KCNQ3KCNQ2HDAC1HDAC6

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 ALDH1A1 496/4885KCNQ3 2598/4885KCNQ2 2627/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885KCNQ3 961/4885KCNQ2 1172/4885

“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.