SCHEMBL5904032

SCHEMBL5904032

c1ccc(CCc2cc(-c3cccs3)n[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SDHB P21912 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6412460 0.79 HCAR2 (0.50) COMTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL14400727 0.78 SMN1; SMN2 (0.54) COMTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL624712 0.78 SMN1; SMN2 (0.54) DRD2DRD4DRD3SMN1; SMN2KDM4E
SCHEMBL6412673 0.78 SMN1; SMN2 (0.48) COMTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL27922929 0.78 COMT (0.58) COMTDRD2DRD4DRD3TP53
SCHEMBL6418397 0.77 KDM4E (0.47) COMTDRD2DRD4DRD3SMN1; SMN2
SCHEMBL5903697 0.75 COMT (0.53) COMTKDM4ERAB9APOLBMEN1
SCHEMBL2824086 0.73 COMT (0.53) COMTNPC1LMNAMEN1KMT2A
SCHEMBL6414035 0.73 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EALDH1A1GAAADORA3
SCHEMBL3947733 0.73 COMT (0.49) COMTNPC1RAB9AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LIMITED 2006-06-08 US disclosed
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 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-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 COMT 3031/4885DRD2 4838/4885DRD4 4832/4885

“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.