SCHEMBL15028494

SCHEMBL15028494

CNC(=S)N/N=C(C)/C(C)=N/Nc1ccc(-c2nc3ccccc3s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
APP P05067 8/20 0.44
GLA P06280 4/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
INSR P06213 1/20 0.39
AURKA O14965 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 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
SCHEMBL2055238 0.75 APP (0.67) NPC1RAB9AKMT2AMEN1APP
SCHEMBL16436146 0.73 RAB9A (0.67) NPC1RAB9AKMT2AMEN1APP
SCHEMBL12727643 0.72 TOP2A (0.59) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL12727644 0.72 HCAR3 (0.51) GAAMAPTALDH1A1
SCHEMBL12727662 0.68 MMP2 (0.64) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL12727590 0.68 GAA (0.60) NPC1RAB9AKMT2AMEN1APP
SCHEMBL25062712 0.67 SMN1; SMN2 (0.50) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL21471952 0.66 RAB9A (0.68) NPC1RAB9AKMT2AMEN1APP
SCHEMBL7208787 0.66 RAB9A (0.71) NPC1RAB9AKMT2AMEN1APP
SCHEMBL5184949 0.66 RAB9A (0.64) NPC1RAB9AKMT2AMEN1APP

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-20150037253-A1 METAL COMPLEXES AS IMAGING AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2015-02-05 US disclosed
WO-2013082661-A1 METAL COMPLEXES AS IMAGING AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2013-06-13 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-20150037253-A1 METAL COMPLEXES AS IMAGING AGENTS APBA1, TBCB, PSEN1 NPC1 840/4885RAB9A 3396/4885KMT2A 3593/4885

“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.