SCHEMBL14863383

SCHEMBL14863383

C=CCSc1ccccc1NC(=N)N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CETP P11597 4/20 0.35
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ GP6 Q9HCN6 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11759344 0.78 MEN1 (0.41) GAANPSR1HSD17B10ALDH1A1MEN1
SCHEMBL11222976 0.76 ALDH1A1 (0.58) NPSR1ALDH1A1MEN1KMT2ACETP
SCHEMBL24131349 0.75 ALDH1A1 (0.38) GAANPSR1HSD17B10ALDH1A1MEN1
SCHEMBL11059185 0.75 RAB9A (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10351891 0.73 MEN1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL11639403 0.73 HTT (0.41) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2002382 0.71 GAA (0.50) GAAHSD17B10ALDH1A1KMT2ATSHR
SCHEMBL1082915 0.70 MEN1 (0.69) NPSR1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11639400 0.70 MEN1 (0.32) NPSR1MEN1KMT2AHTTL3MBTL1
SCHEMBL1399545 0.69 SIRT1 (0.50) GAANPSR1HSD17B10ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2766326-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE Healthcare UK Limited (GB) 2014-08-20 — — EP disclosed
WO-2013053941-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED BIOMOLECULES GE HEALTHCARE LIMITED (GB) 2013-04-18 — — 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-20140243555-A1 METHOD FOR THE SYNTHESIS OF 18F-LABELLED MOLECULES GMPS, PAICS, DUT GAA 30/4885NPSR1 4511/4885HSD17B10 3057/4885

“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.

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