SCHEMBL3918322

SCHEMBL3918322

O=C(NCc1ccc(CO)cc1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
THRB P10828 1/20 0.67
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
NPC1 O15118 2/20 0.63
NAMPT P43490 4/20 0.61
HPGD P15428 1/20 0.61
GAA P10253 2/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL354041 0.88 TSHR (0.76) TSHRTHRBHDAC1HDAC6HDAC3
SCHEMBL19028142 0.88 TSHR (0.76) TSHRTHRBHDAC1HDAC6HDAC3
SCHEMBL28793879 0.87 TSHR (0.74) TSHRTHRBHDAC1HDAC6HDAC3
SCHEMBL8372128 0.87 TSHR (0.74) TSHRTHRBHDAC1HDAC6HDAC3
SCHEMBL6167737 0.87 TSHR (0.74) TSHRTHRBHDAC1HDAC6HDAC3
Iodide SCHEMBL15903217 0.86 TSHR (0.74) TSHRTHRBHDAC1HDAC6HDAC3
SCHEMBL7082686 0.86 TSHR (0.73) TSHRTHRBNPC1NAMPTGAA
SCHEMBL27361080 0.85 TSHR (0.72) TSHRTHRBHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL11508166 0.85 TSHR (0.72) TSHRTHRBHDAC1HDAC6HDAC3
SCHEMBL5078944 0.84 TSHR (0.71) TSHRTHRBHDAC1HDAC6HDAC3

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-7495022-B2 α,β-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2009-02-24 US disclosed
US-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors SK CHEMICALS CO., LTD. (KR) 2005-06-09 US disclosed
WO-2003087066-A1 α,β-UNSATURATED HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS SK CHEMICALS, CO., LTD. (KR) 2003-10-23 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 (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-20050124679-A1 Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 TSHR 4534/4885THRB 1474/4885HDAC1 1/4885

“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.