SCHEMBL7922570

SCHEMBL7922570

O=C(CS)Nc1cc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.63
HDAC4 P56524 10/20 0.63
HDAC1 Q13547 10/20 0.63
HDAC7 Q8WUI4 10/20 0.63
HDAC2 Q92769 10/20 0.63
HDAC10 Q969S8 10/20 0.63
HDAC11 Q96DB2 10/20 0.63
HDAC8 Q9BY41 10/20 0.63
HDAC6 Q9UBN7 10/20 0.63
HDAC9 Q9UKV0 10/20 0.63
HDAC5 Q9UQL6 10/20 0.63
CA12 O43570 1/20 0.52
ALPL P05186 1/20 0.52
RPA1 P27694 1/20 0.52
NCOR2 Q9Y618 5/20 0.51
MAPT P10636 1/20 0.45
ACR P10323 1/20 0.44

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) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7931637 0.86 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7928949 0.86 ALPL (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7922563 0.85 TP53 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7932540 0.85 SNCA (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19806685 0.82 RAB9A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7922566 0.82 MAPT (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7925067 0.82 LMNA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7934009 0.81 MAPT (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13376935 0.79 ROCK1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 242/4885HDAC4 401/4885HDAC1 137/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HDAC3 4202/4885HDAC4 3185/4885HDAC1 4782/4885

“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.