SCHEMBL5943923

SCHEMBL5943923

Cc1ccc(C(=O)Nc2cc(C(=O)NCc3ccccc3)cc(-c3ccc(C(=O)NO)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.62
P2RY14 Q15391 1/20 0.62
HDAC1 Q13547 5/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
AKR1C4 P17516 4/20 0.54
AKR1C3 P42330 4/20 0.54
AKR1C2 P52895 3/20 0.54
EGFR P00533 2/20 0.54
KDM1A O60341 1/20 0.53
SENP1 Q9P0U3 1/20 0.53
PARP1 P09874 1/20 0.52

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
SCHEMBL5943989 0.93 HDAC6 (0.66) FABP1P2RY14HDAC1HDAC6HDAC2
SCHEMBL5943990 0.89 HDAC1 (0.61) FABP1P2RY14HDAC1HDAC6HDAC2
SCHEMBL5943789 0.89 NPC1 (0.62) FABP1P2RY14HDAC1HDAC6HDAC2
SCHEMBL5944168 0.87 P2RY14 (0.72) FABP1P2RY14HDAC1HDAC6HDAC2
SCHEMBL5944016 0.85 P2RY14 (0.59) FABP1P2RY14HDAC1HDAC6KDM1A
SCHEMBL5944221 0.83 P2RY14 (0.56) FABP1P2RY14HDAC1HDAC6PARP1
SCHEMBL5943827 0.82 P2RY14 (0.55) FABP1P2RY14HDAC1HDAC6KDM1A
SCHEMBL5943765 0.82 P2RY14 (0.55) FABP1P2RY14HDAC1HDAC6KDM1A
SCHEMBL5943808 0.81 P2RY14 (0.54) FABP1P2RY14HDAC1HDAC6HDAC4
SCHEMBL5943799 0.81 P2RY14 (0.62) FABP1P2RY14HDAC1HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 FABP1 1686/4885P2RY14 4746/4885HDAC1 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.