SCHEMBL15580231

SCHEMBL15580231

C/C=C/c1sc(-c2nccs2)nc1C(=O)NCCCNC(=O)CS

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 1.00
HDAC1 Q13547 19/20 1.00
HDAC6 Q9UBN7 19/20 1.00
HDAC4 P56524 1/20 0.48

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
SCHEMBL19114137 0.91 HDAC6 (0.83) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15746872 0.90 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580236 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580304 0.88 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580235 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL19114023 0.81 HDAC6 (0.84) HDAC3HDAC1HDAC6HDAC4
SCHEMBL19114268 0.80 HDAC6 (0.67) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580314 0.80 HDAC1 (1.00) HDAC3HDAC1HDAC6HDAC4
SCHEMBL19114182 0.79 HDAC6 (0.83) HDAC3HDAC1HDAC6HDAC4
SCHEMBL15580290 0.78 HDAC1 (1.00) HDAC3HDAC1HDAC6HDAC4

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.