SCHEMBL2655927

SCHEMBL2655927

CCN(Cc1ccc(C(=O)NCC#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.54
▸ HDAC3 O15379 3/20 0.54
▸ HDAC2 Q92769 3/20 0.54
▸ NCOR2 Q9Y618 3/20 0.54
▸ HDAC6 Q9UBN7 3/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ CTSS P25774 11/20 0.42
▸ CTSL P07711 4/20 0.42
▸ CTSB P07858 2/20 0.41
▸ CTSK P43235 7/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL2655936 0.80 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2643761 0.80 EPHX2 (0.47) HDAC3HDAC6MRGPRX4HDAC8EPHX2
SCHEMBL13813562 0.80 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2656900 0.80 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2655937 0.79 ALDH1A1 (0.57) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL14587226 0.78 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL8286119 0.76 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2056117 0.76 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1956844 0.76 HDAC3 (0.52) HDAC1HDAC3HDAC2NCOR2CTSS
SCHEMBL2056134 0.76 HDAC3 (0.49) HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — 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 (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-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HDAC1 2196/4885HDAC3 1032/4885HDAC2 2516/4885

“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.

Send feedback