SCHEMBL7922563

SCHEMBL7922563

O=C(CS)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
CHEK1 O14757 1/20 0.50
RET P07949 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
PDGFRA P16234 1/20 0.50
GSK3B P49841 1/20 0.50
RPS6KA3 P51812 1/20 0.50
LIMK1 P53667 1/20 0.50

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
SCHEMBL1144178 0.87 ALPL (0.54) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL7933241 0.86 RAF1 (0.45) HDAC1HDAC2HDAC8HDAC6
SCHEMBL7931637 0.85 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7922570 0.85 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7928949 0.85 ALPL (0.52) TP53HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4063248 0.84 HDAC3 (0.49) TP53HDAC3HDAC1CHEK1RET
SCHEMBL6225353 0.82 TP53 (0.46) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL7922566 0.82 MAPT (0.59) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL7932540 0.82 SNCA (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7934319 0.82 RAF1 (0.50) HDAC1HDAC2HDAC8RETPDGFRB

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 TP53 2232/4885HDAC3 242/4885HDAC4 401/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TP53 4251/4885HDAC3 4202/4885HDAC4 3185/4885

“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.