SCHEMBL4247786

SCHEMBL4247786

O=C(NCCOc1ccc(C(=S)NO)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.53
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
HDAC4 P56524 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC1 Q13547 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL445115 0.90 HDAC1 (0.62) FAAHPDE3BPDE3APKMMAPK1
SCHEMBL4251760 0.82 HPGD (0.48) MAPK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4251410 0.81 NAMPT (0.58)
SCHEMBL4249828 0.81 HRH3 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL4252424 0.78 NAMPT (0.51) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4252209 0.78 TAAR1 (0.57) HDAC4HDAC1MEN1KMT2AKDM4E
SCHEMBL4254267 0.76 HRH3 (0.42) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4257390 0.75 NPC1 (0.71) HDAC4HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL14918645 0.75 HDAC4 (0.59) PDE3BPDE3AHDAC4HDAC1ALDH1A1
SCHEMBL4255199 0.74 RAB9A (0.51) PKMALDH1A1KDM4ESMN1; SMN2POLB

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 FAAH 853/4885PDE3B 2104/4885PDE3A 2203/4885

“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.