SCHEMBL17483902

SCHEMBL17483902

CN(Cc1ccc(/C=C/C(=O)Nc2cc(F)ccc2N)cc1)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.67
▸ HDAC6 Q9UBN7 10/20 0.67
▸ HDAC5 Q9UQL6 8/20 0.67
▸ HDAC3 O15379 8/20 0.67
▸ HDAC2 Q92769 7/20 0.67
▸ HDAC4 P56524 6/20 0.67
▸ HDAC8 Q9BY41 6/20 0.67
▸ HDAC10 Q969S8 3/20 0.67
▸ KDM1A O60341 2/20 0.46
▸ HDAC7 Q8WUI4 4/20 0.45
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NCOR1 O75376 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL17483897 0.93 HDAC3 (0.67) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL19682895 0.91 HDAC1 (0.54) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL17478501 0.87 HDAC1 (0.71) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL19683022 0.87 HDAC1 (0.71) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL17478531 0.87 HDAC1 (0.71) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL19666050 0.87 HDAC1 (0.71) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL17483933 0.87 HDAC1 (0.64) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL17483931 0.84 HDAC1 (0.49) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL17483983 0.84 HDAC1 (0.54) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL17483982 0.84 HDAC1 (0.59) HDAC1HDAC6HDAC5HDAC3HDAC2

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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — US disclosed
WO-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 — — 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-20170349540-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC6 10/4885HDAC5 3/4885

“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