SCHEMBL7366779

SCHEMBL7366779

O=CCCCCCSc1nc(-c2ccccc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
HTR7 P34969 2/20 0.56
HTR2A P28223 1/20 0.56
RAB9A P51151 4/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 1/20 0.46
MCL1 Q07820 1/20 0.46
DRD2 P14416 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL7366759 0.82 HTR1A (0.60) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL6809588 0.76 HTR1A (0.56) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL11756786 0.76 HRH3 (0.56) HTR7HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL1540756 0.76 HTR1A (0.67) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL7371253 0.75 TP53 (0.46) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL7371255 0.75 TP53 (0.46) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL7371258 0.75 TP53 (0.46) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL7365862 0.75 RAB9A (0.53) HTR1AHTR7HTR2ARAB9AHTT
SCHEMBL7374162 0.75 HDAC1 (0.65) HTR1AHTR7HTR2ARAB9ANPC1
SCHEMBL7370747 0.73 CYP1A2 (0.65) HTR1AHTR7HTR2ARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 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-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HTR1A 3116/4885HTR7 2664/4885HTR2A 3776/4885

“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.