SCHEMBL7930408

SCHEMBL7930408

O=C(CS)Nc1nnc(-c2ccc(Br)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.67
HDAC2 Q92769 9/20 0.67
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
CSNK2A2 P19784 3/20 0.55
CSNK2A1 P68400 3/20 0.55
BLM P54132 1/20 0.54
HPN P05981 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL7925080 0.85 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7929987 0.85 NPC1 (0.63) CSNK2A2CSNK2A1ALDH1A1KDM4EHPGD
SCHEMBL7933867 0.84 KDM4E (0.74) HDAC1HDAC2BLMALDH1A1KDM4E
SCHEMBL7933652 0.82 SMN1; SMN2 (0.71) HDAC1HDAC2CSNK2A2CSNK2A1ALDH1A1
SCHEMBL4459490 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12986710 0.81 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20522351 0.80 CSNK2A2 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7930002 0.74 GAA (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL20522295 0.73 CSNK2A2 (0.60) HDAC1HDAC2CSNK2A2CSNK2A1BLM
SCHEMBL14954988 0.73 NPC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7

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 6 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-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
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 HDAC1 137/4885HDAC2 285/4885HDAC3 242/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HDAC1 4782/4885HDAC2 4211/4885HDAC3 4202/4885

“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.