SCHEMBL1322320

SCHEMBL1322320

CSc1cccc(NC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CFTR P13569 1/20 0.43

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
SCHEMBL7531434 0.81 MAPT (0.53) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL8985182 0.79 ALDH1A1 (0.42) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31231920 0.77 MEN1 (0.56) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL10567833 0.77 MEN1 (0.56) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL2317686 0.75 MAPT (0.56) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL4076876 0.74 MEN1 (0.53) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL12123166 0.74 MAPT (0.52) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7710352 0.73 MAPT (0.53) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL1323274 0.73 MAOB (0.54) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL24265378 0.72 MAPT (0.57) RAB9AGAAMAPTMEN1KMT2A

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
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
EP-1521741-B1 IMAGING COMPOUNDS HAMMERSMITH IMANET LTD (GB) 2008-12-24 EP disclosed
US-7432397-B2 Imaging compounds HAMMERSMITH IMANET LTD. (GB) 2008-10-07 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
US-20050260125-A1 e.g. (N-(2-chloro-5-(methylthio)phenyl)-N'-(3-methylthio)phenyl)-N'-[N-methyl-11C]-methylguanidine; in vivo diagnostic or imaging method such as PET for central nervous system (N-methyl-D-aspartate) receptors; stroke, brain or spinal chord trauma, epilepsy, Alzheimer's, and Huntington's diseases GE HEALTHCARE LIMITED (GB) 2005-11-24 US disclosed
EP-1521741-A1 IMAGING COMPOUNDS Hammersmith Imanet, Ltd (GB) 2005-04-13 EP disclosed
WO-2004007440-A1 IMAGING COMPOUNDS HAMMERSMITH IMANET LTD (GB) 2004-01-22 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 (2 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-20050260125-A1 e.g. (N-(2-chloro-5-(methylthio)phenyl)-N'-(3-methylthio)phenyl)-N'-[N-methyl-11C]-methylguanidine; in vivo diagnostic or imaging method such as PET for central nervous system (N-methyl-D-aspartate) receptors; stroke, brain or spinal chord trauma, epilepsy, Alzheimer's, and Huntington's diseases GLRA1, SHH, NMUR1 RAB9A 295/4885GAA 3054/4885MAPT 121/4885
US-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES SSTR3, GPR3, GALR3 RAB9A 480/4885GAA 3453/4885MAPT 977/4885

“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.