SCHEMBL1323274

SCHEMBL1323274

N#CNc1cccc(SCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
MAOA P21397 6/20 0.54
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL27732887 0.78 MAOB (0.54) MAOBMAOAROCK2GRK2SIRT2
SCHEMBL1322320 0.73 RAB9A (0.49) MAPTMEN1KMT2ACYP3A4CYP2C9
SCHEMBL11506421 0.72 JAK2 (0.38) MEN1KMT2A
SCHEMBL8985182 0.71 ALDH1A1 (0.42) MAPTHTTMEN1KMT2AKDM4E
SCHEMBL332623 0.71 MAOA (0.63) MAOBMAOAMEN1KMT2AKDM4E
SCHEMBL6679870 0.71 MAPT (0.43) MAOBMAOAROCK2GRK2MAPT
SCHEMBL19973146 0.71 MAOA (0.51) MAOBMAOASLC6A4CYP3A4HSD17B10
SCHEMBL34461889 0.70 MAOB (1.00) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL11498323 0.70 MAOA (0.47) MAOBMAOAROCK2GRK2MAPT
SCHEMBL1322419 0.70 MAOB (0.51) MAOBMAOASIRT2SLC6A4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896400-B1 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES FOR USE IN MEDICAL IMAGING HAMMERSMITH IMANET LTD (GB) 2013-10-16 EP disclosed
EP-1896400-B1 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES FOR USE IN MEDICAL IMAGING HAMMERSMITH IMANET LTD (GB) 2013-10-16 EP disclosed
US-8058311-B2 Imaging 18F or 11C-labelled alkylthiophenyl guanidines HAMMERSMITH IMANET LIMITED (GB) 2011-11-15 US disclosed
US-8058311-B2 Imaging 18F or 11C-labelled alkylthiophenyl guanidines HAMMERSMITH IMANET LIMITED (GB) 2011-11-15 US disclosed
US-8058311-B2 Imaging 18F or 11C-labelled alkylthiophenyl guanidines HAMMERSMITH IMANET LIMITED (GB) 2011-11-15 US disclosed
US-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES GE HEALTHCARE LIMITED (GB) 2010-06-10 US disclosed
US-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES GE HEALTHCARE LIMITED (GB) 2010-06-10 US disclosed
US-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES GE HEALTHCARE LIMITED (GB) 2010-06-10 US disclosed
EP-1896400-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES Hammersmith Imanet, Ltd (GB) 2008-03-12 EP disclosed
WO-2006136846-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES HAMMERSMITH IMANET LIMITED (GB) 2006-12-28 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-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES SSTR3, GPR3, GALR3 MAOB 1712/4885MAOA 2511/4885ROCK2 2291/4885

“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.