SCHEMBL4100659

SCHEMBL4100659

CNC(=S)N(C)[C@@H](C)c1cc(-c2cccc(C)c2)on1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
MLLT1 Q03111 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
QPCT Q16769 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 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
SCHEMBL2896504 0.87 TP53 (0.43) ALDH1A1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL4107763 0.77 GRM5 (0.36) GRM5MLLT1RAB9ATP53HTT
SCHEMBL4107764 0.77 GRM5 (0.36) GRM5MLLT1RAB9ATP53HTT
SCHEMBL2903787 0.75 GRM5 (0.42) GRM5MLLT1ALDH1A1HPGDRAB9A
SCHEMBL2959581 0.75 GRM5 (0.43) GRM5MLLT1ALDH1A1HPGDRAB9A
SCHEMBL3103383 0.75 GRM5 (0.43) GRM5MLLT1ALDH1A1HPGDRAB9A
SCHEMBL2962439 0.75 GRM5 (0.43) GRM5MLLT1ALDH1A1HPGDRAB9A
SCHEMBL17788469 0.74 GRM5 (0.45) GRM5MLLT1HPGDRAB9ATP53
SCHEMBL4089331 0.72 MEN1 (0.39) MAOBALDH1A1HPGDRAB9ATP53
SCHEMBL2904065 0.71 NPC1 (0.43) ALDH1A1RAB9ATP53MAPTSMN1; SMN2

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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885MLLT1 2895/4885MAOB 3493/4885

“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.