SCHEMBL4249319

SCHEMBL4249319

O=C(CN1CCN(c2ccncc2)CC1)NCCOc1ccc(C(=S)NO)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.53
HRH1 P35367 6/20 0.50
HRH2 P25021 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL445904 0.90 HRH3 (0.54) HRH3HRH1HRH2
SCHEMBL14918688 0.76 HDAC6 (0.49) HRH3HRH1HRH2KDM4E
SCHEMBL7546222 0.76 HRH3 (0.55) HRH3HRH1ALDH1A1
SCHEMBL4254124 0.76 MAPT (0.58) ALDH1A1
SCHEMBL4253993 0.73 NPC1 (0.47) KDM4EALDH1A1
SCHEMBL4248722 0.71 LMNA (0.36) HRH3KDM4EALDH1A1
SCHEMBL9079217 0.71 HRH3 (0.53) HRH3HRH1ALDH1A1
SCHEMBL4249828 0.70 HRH3 (0.49) HRH3ALDH1A1
SCHEMBL7398284 0.70 HRH3 (0.58) HRH3HRH1ALDH1A1
SCHEMBL4251760 0.70 HPGD (0.48) HRH3KDM4EALDH1A1F10

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 HRH3 198/4885HRH1 503/4885HRH2 896/4885

“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.