SCHEMBL12727643

SCHEMBL12727643

CNC(=S)N/N=C(C)/C(C)=N/Nc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.59
GAA P10253 6/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
SLC2A1 P11166 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTBP1 P26599 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL28689206 0.75 RAB9A (0.54) GAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL12727644 0.75 HCAR3 (0.51) GAANPSR1TDP1MAPTALDH1A1
SCHEMBL9321802 0.75 TOP2A (1.00) TOP2AGAANPSR1TDP1RAB9A
SCHEMBL17987719 0.75 TOP2A (1.00) TOP2AGAANPSR1TDP1RAB9A
SCHEMBL29883013 0.75 TOP2A (1.00) TOP2AGAANPSR1TDP1RAB9A
SCHEMBL1973299 0.74 RAB9A (0.59) GAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4364365 0.73 NPSR1 (0.63) GAANPSR1RAB9ASMN1; SMN2NPC1
SCHEMBL1024423 0.73 TOP2A (0.75) TOP2AGAANPSR1TDP1RAB9A
SCHEMBL15028494 0.72 NPC1 (0.45) GAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16701390 0.72 NPSR1 (0.50) TOP2AGAANPSR1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299285-B2 Compounds for imaging and therapy ISIS INNOVATION LIMITED (GB) 2012-10-30 US disclosed
US-8299285-B2 Compounds for imaging and therapy ISIS INNOVATION LIMITED (GB) 2012-10-30 US disclosed
US-20110098353-A1 Compounds for Imaging and Therapy OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2011-04-28 US disclosed
US-20110098353-A1 Compounds for Imaging and Therapy OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2011-04-28 US disclosed
WO-2007003944-A2 COMPOUNDS FOR IMAGING AND THERAPY ISIS INNOVATION LIMITED (GB) 2007-01-11 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-20110098353-A1 Compounds for Imaging and Therapy MEN1, XPOT, SLC39A3 TOP2A 70/4885GAA 554/4885NPSR1 1626/4885

“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.