SCHEMBL15580214

SCHEMBL15580214

Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)cs2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 1.00
HDAC1 Q13547 19/20 1.00
HDAC6 Q9UBN7 16/20 1.00
HDAC2 Q92769 3/20 0.63
HDAC8 Q9BY41 3/20 0.63
HDAC4 P56524 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63

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
SCHEMBL19114430 0.85 HDAC1 (0.74) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580195 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580255 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL19113987 0.82 HDAC1 (0.70) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580221 0.79 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580274 0.79 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580303 0.79 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580237 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580242 0.78 HDAC1 (0.89) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL27187285 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8

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
EP-2708534-B1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI THEORION PHARMACEUTICAL CO LTD (CN) 2017-07-12 EP disclosed
US-9216962-B2 Thiazole compounds, methods for preparation and use thereof SHANGHAI PUYI CHEMICAL CO., LTD. (CN) 2015-12-22 US disclosed
US-20140148600-A1 THIAZOLE COMPOUNDS, METHODS FOR PREPARATION AND USE THEREOF SHANGHAI THEORION PHARMACEUTICAL CO., LTD. (CN) 2014-05-29 US disclosed
EP-2708534-A1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Puyi Chemical Co., Ltd. (CN) 2014-03-19 EP 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 (1 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-20140148600-A1 THIAZOLE COMPOUNDS, METHODS FOR PREPARATION AND USE THEREOF HDAC5, HDAC7, HDAC1 HDAC3 9/4885HDAC1 3/4885HDAC6 7/4885

“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.