SCHEMBL17115259

SCHEMBL17115259

COc1ccc2c(=S)c3ccncc3oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.50
MAOB P27338 3/20 0.49
CYP11B1 P15538 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAOA P21397 1/20 0.46
CHUK O15111 1/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
STAT1 P42224 1/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ACHE P22303 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP11B2 P19099 1/20 0.42
CLK1 P49759 1/20 0.41
CASP3 P42574 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
SCHEMBL85996 0.86 MAOB (0.62) MAOBNPC1RAB9AMAOAKDM4E
SCHEMBL17115258 0.77 ROCK2 (0.37) ROCK2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11209858 0.75 MAPT (0.70) ROCK2MAOBCYP11B1NPC1RAB9A
SCHEMBL22868035 0.75 NPC1 (0.71) ROCK2CYP11B1NPC1RAB9AMAOA
SCHEMBL7097279 0.75 KDM4E (0.69) MAOBNPC1RAB9AMAOAKDM4E
SCHEMBL7014663 0.75 MAOB (0.50) MAOBCYP11B1NPC1RAB9AMAOA
SCHEMBL13695996 0.75 MAOB (0.50) MAOBNPC1RAB9AMAOAKDM4E
SCHEMBL13892585 0.73 MAOB (0.49) MAOBNPC1RAB9AMAOAKDM4E
SCHEMBL17115265 0.73 IDO1 (0.43) ROCK2MAOBCYP11B1NPC1RAB9A
SCHEMBL19789801 0.71 MAOB (0.47) MAOBNPC1RAB9AMAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
US-20170183356-A1 New Imaging Agents and Methods of Identifying Same THR TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-06-29 US disclosed
WO-2015143349-A1 NEW IMAGING AGENTS AND METHODS OF IDENTIFYING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-24 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-20170183356-A1 New Imaging Agents and Methods of Identifying Same DDX3X, DDX21, DAXX ROCK2 277/4885MAOB 1522/4885CYP11B1 3318/4885

“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.