SCHEMBL7933241

SCHEMBL7933241

O=C(CS)Nc1cc(-c2cccc(Cl)c2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CNR2 P34972 1/20 0.43
ABL1 P00519 1/20 0.42
IDO1 P14902 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL7922563 0.86 TP53 (0.51) HDAC1HDAC2HDAC8HDAC6
SCHEMBL1144178 0.85 ALPL (0.54) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7925067 0.82 LMNA (0.47) RAF1HDAC1HDAC2HDAC8ABL1
SCHEMBL7931677 0.82 MAPT (0.60) HDAC1HDAC2HDAC8
SCHEMBL7934319 0.82 RAF1 (0.50) RAF1HDAC1HDAC2HDAC8IDO1
SCHEMBL7931682 0.78 ALPL (0.60)
SCHEMBL2055715 0.78 KCNH2 (0.53)
SCHEMBL7922570 0.78 HDAC3 (0.63) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7928949 0.78 ALPL (0.52) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7931637 0.78 HDAC3 (0.47) HDAC1HDAC2HDAC8HDAC6

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 RAF1 4796/4885HDAC1 137/4885HDAC2 285/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 RAF1 3818/4885HDAC1 4782/4885HDAC2 4211/4885

“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.