SCHEMBL19002183

SCHEMBL19002183

CC(C)c1ccc(-c2cc(=S)ss2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.58
HDAC3 O15379 9/20 0.58
HDAC1 Q13547 9/20 0.58
HDAC2 Q92769 9/20 0.58
HDAC8 Q9BY41 8/20 0.58
HDAC4 P56524 7/20 0.58
HDAC7 Q8WUI4 7/20 0.58
HDAC10 Q969S8 7/20 0.58
HDAC11 Q96DB2 7/20 0.58
HDAC9 Q9UKV0 7/20 0.58
HDAC5 Q9UQL6 7/20 0.58
MEN1 O00255 1/20 0.58
PGR P06401 1/20 0.58
ADRB2 P07550 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
MAOA P21397 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
NPY1R P25929 1/20 0.58
ADORA2A P29274 1/20 0.58

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
SCHEMBL8457651 0.78 HDAC3 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL596212 0.78 HDAC3 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21498359 0.74 HDAC3 (0.54) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28820748 0.74 HDAC3 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16856765 0.74 HDAC6 (0.64) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15928850 0.73 HDAC3 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
Anetholtrithion SCHEMBL225654 0.73 MEN1 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19002178 0.73 HDAC3 (0.58) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL596141 0.73 HDAC3 (0.63) HDAC6HDAC3HDAC1HDAC2HDAC8
Anetholtrithion SCHEMBL10716911 0.70 MEN1 (0.93) HDAC6HDAC3HDAC1HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371446-A1 SIRT1 ACTIVATING COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-12-02 US disclosed
US-9688607-B2 No- and H2S-releasing compounds RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-06-27 US disclosed
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors CYPRUS UNIVERSITY OF TECHNOLOGY (CY) 2017-06-22 US 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-20210371446-A1 SIRT1 ACTIVATING COMPOUNDS SIRT1, SIRT2, SIRT3 HDAC6 18/4885HDAC3 14/4885HDAC1 10/4885
US-20170174651-A1 Method of Priming Plants Against Abiotic Stress Factors NOS2, NOS1, HSF1 HDAC6 2156/4885HDAC3 3014/4885HDAC1 2135/4885

“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.