SCHEMBL4881325

SCHEMBL4881325

CC(=O)SCC(=O)c1ccc(CSc2ccnc3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL4884629 0.79 HDAC6 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4421777 0.78 MAPT (0.42) PRNPRXFP1KDM4EKDRSLC22A12
SCHEMBL7791371 0.75 TAS1R3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28757760 0.75 RAC1 (0.38) PRNPRXFP1POLBKMT2ARAC1
SCHEMBL4419754 0.70 DAO (0.39) KDRRAB9APRKD3MAP4K4GSK3A
SCHEMBL27619323 0.69 DAO (0.39) KDRRAB9APRKD3MAP4K4GSK3A
SCHEMBL20678040 0.68 RAC1 (0.50) RAC1RAC2RAC3MAPT
SCHEMBL9024092 0.68 ADRB2 (0.48) KDRSLC22A12PRKD3MAP4K4GSK3A
SCHEMBL4428395 0.68 RAC1 (0.42) PRNPRXFP1KDM4EKDRSLC22A12
SCHEMBL4419333 0.68 RAC1 (0.48) PRNPRXFP1KDM4EPOLBKMT2A

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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 WO disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 HDAC3 11/4885HDAC4 8/4885HDAC1 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.