SCHEMBL7933388

SCHEMBL7933388

O=C(CS)Nc1nc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
CSNK1D P48730 5/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
NFKB1 P19838 2/20 0.69
NFKB2 Q00653 2/20 0.69
RELA Q04206 2/20 0.69
POLB P06746 1/20 0.69
ALDH1A1 P00352 4/20 0.68
ACP1 P24666 1/20 0.68
NCS1 P62166 1/20 0.66

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
SCHEMBL5313704 0.84 CSNK1D (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4858014 0.84 CSNK1D (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29485044 0.84 DYRK1A (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29282910 0.84 DYRK1A (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
Ethylene SCHEMBL8167289 0.84 CSNK1D (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29485043 0.84 DYRK1A (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6206186 0.84 RAB9A (0.72) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL25333657 0.83 CSNK1D (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3933070 0.83 DYRK1A (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5070926 0.83 POLB (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354374-A1 Chemical Entities, Pharmaceutical Formulations, and Methods for Treating Fibrosis Inspira, LLC 2020-11-12 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
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 (3 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
US-20200354374-A1 Chemical Entities, Pharmaceutical Formulations, and Methods for Treating Fibrosis CFTR, FIBP, ABCC1 HDAC3 668/4885HDAC4 2480/4885HDAC1 1727/4885

“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.