SCHEMBL1322334

SCHEMBL1322334

CSc1cccc(N(C)C(=N)Nc2cc(S)ccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 4/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
Hydrochloric Acid SCHEMBL1322297 0.99 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12123177 0.92 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL499356 0.90 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL29370312 0.90 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL6420655 0.89 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7202740 0.88 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2593943 0.87 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7208221 0.87 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12125153 0.86 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6847556 0.84 HSD17B1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 33 patents — showing the first 20. 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 claimed
US-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES GE HEALTHCARE LIMITED (GB) 2010-06-10 US claimed
EP-1896400-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES Hammersmith Imanet, Ltd (GB) 2008-03-12 EP claimed
WO-2006136846-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES HAMMERSMITH IMANET LIMITED (GB) 2006-12-28 WO claimed
US-10759747-B2 Alkylation method GE HEALTHCARE LIMITED (GB) 2020-09-01 US disclosed
EP-2766325-B1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE HEALTHCARE LTD (GB) 2020-03-18 EP disclosed
US-20190161440-A1 ALKYLATION METHOD KINGS COLLEGE LONDON (GB) 2019-05-30 US disclosed
WO-2017186969-A1 ALKYLATION METHOD GE HEALTHCARE LIMITED (GB) 2017-11-02 WO disclosed
US-9125954-B2 Method for the synthesis of 18F-labelled biomolecules GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
US-9085518-B2 Method for the synthesis of 18F-labelled molecules GE HEALTHCARE LIMITED (GB) 2015-07-21 US disclosed
US-9085518-B2 Method for the synthesis of 18F-labelled molecules GE HEALTHCARE LIMITED (GB) 2015-07-21 US disclosed
US-20140243555-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED MOLECULES GE HEALTHCARE LIMITED (GB) 2014-08-28 US disclosed
WO-2011141568-A1 METHOD OF SYNTHESIS GE HEALTHCARE LIMITED (GB) 2011-11-17 WO disclosed
WO-2011141568-A1 METHOD OF SYNTHESIS GE HEALTHCARE LIMITED (GB) 2011-11-17 WO 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
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 (4 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-20140243555-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED MOLECULES GMPS, PAICS, DUT GRIN2D 4038/4885GRIN3B 3672/4885GRIN1 4777/4885
US-10759747-B2 Alkylation method INMT, ALKBH3, PIGO GRIN2D 3331/4885GRIN3B 1939/4885GRIN1 3197/4885
US-20190161440-A1 ALKYLATION METHOD INMT, ALKBH3, PIGO GRIN2D 3331/4885GRIN3B 1939/4885GRIN1 3197/4885
US-20100143252-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES SSTR3, GPR3, GALR3 GRIN2D 649/4885GRIN3B 326/4885GRIN1 393/4885

“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.