SCHEMBL18593271

SCHEMBL18593271

COC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C(CCN)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 7/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
THRB P10828 2/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL18581227 0.91 THRB (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18593269 0.89 TSHR (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18593273 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18593272 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL20580645 0.82 THRB (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18593270 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18581098 0.82 HDAC6 (0.49) ALDH1A1SMN1; SMN2TSHRTHRB
SCHEMBL18581129 0.80 THRB (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18581793 0.80 THRB (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL18581864 0.80 TP53 (0.47) ALDH1A1SMN1; SMN2TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 ALDH1A1 1338/4885SMN1; SMN2 3209/4885TSHR 2168/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 ALDH1A1 1338/4885SMN1; SMN2 3209/4885TSHR 2168/4885

“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.