SCHEMBL4258494

SCHEMBL4258494

ONC(=S)c1ccc2ccn(CC3CCNCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.38
KDM1A O60341 12/20 0.37
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL4251097 0.88 ALDH1A1 (0.45) MAP3K5HTR7KDM4EALDH1A1LMNA
SCHEMBL1993304 0.85 HDAC8 (0.51) MAP3K5KDM1AKDM4EALDH1A1LMNA
SCHEMBL4253932 0.76 KDM4E (0.45) MAP3K5KDM4ELMNAHDAC1
SCHEMBL4820405 0.75 HTR2C (0.48) KDM1AHTR7
SCHEMBL4824315 0.73 KDM1A (0.54) KDM1AKDM4EALDH1A1HPGD
SCHEMBL1993864 0.72 HDAC6 (0.53) MAP3K5KDM4EALDH1A1LMNACYP3A4
SCHEMBL2611206 0.72 HDAC6 (0.40) MAP3K5KDM1AHDAC1HDAC8HDAC6
SCHEMBL4255642 0.72 HDAC8 (0.53) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL4777232 0.71 HTR6 (0.52)
SCHEMBL17063357 0.71 HTR2A (0.47) KDM1AHTR7

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 MAP3K5 3389/4885KDM1A 101/4885HTR7 2192/4885

“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.