SCHEMBL934546

SCHEMBL934546

CCC(=O)NCc1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
GRM5 P41594 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4C Q9H3R0 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9480522 0.84 THRB (0.49) TDP1LMNATHRBHPGDGRM5
SCHEMBL934619 0.83 HPGD (0.59) HPGDHDAC8HDAC6KDM4EPOLB
SCHEMBL28121189 0.83 MTNR1A (0.50) HPGDKDM4E
SCHEMBL30259904 0.82 ADORA3 (0.48) LMNATHRBHPGDHDAC6ADORA3
SCHEMBL9430237 0.81 GRM5 (0.50) TDP1LMNATHRBHPGDGRM5
SCHEMBL9839814 0.81 EPHX2 (0.64) HPGD
SCHEMBL18415486 0.81 GRM5 (0.53) TDP1LMNATHRBHPGDGRM5
SCHEMBL13870633 0.79 GRM5 (0.48) TDP1LMNATHRBHPGDGRM5
SCHEMBL12265800 0.77 HDAC6 (0.51) TDP1LMNATHRBHPGDGRM5
SCHEMBL8295315 0.77 ERCC1 (0.53) TDP1LMNATHRBHPGDGRM5

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
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-8026368-B2 Hydrazide compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-27 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-08 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-20090253751-A1 HYDRAZIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, THPO, PTAFR TDP1 2408/4885LMNA 1887/4885THRB 59/4885

“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.