SCHEMBL2904201

SCHEMBL2904201

CCN(Cc1cc(-c2cccc(C)c2)on1)C(=NC)SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.36
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32

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
SCHEMBL13871035 1.00 MEN1 (0.38) MEN1KMT2ANOTUMRAB9ANPC1
SCHEMBL2904200 1.00 MEN1 (0.38) MEN1KMT2ANOTUMRAB9ANPC1
SCHEMBL2902575 0.88 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL2902577 0.88 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL13871030 0.88 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL4097301 0.80 MAPT (0.38) MEN1KMT2ANOTUMRAB9ANPC1
SCHEMBL4097297 0.80 MAPT (0.38) MEN1KMT2ANOTUMRAB9ANPC1
SCHEMBL13871036 0.80 MAPT (0.38) MEN1KMT2ANOTUMRAB9ANPC1
SCHEMBL4089331 0.78 MEN1 (0.39) MEN1KMT2ANOTUMRAB9ANPC1
SCHEMBL3365444 0.75 TP53 (0.49) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
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 MEN1 4260/4885KMT2A 1682/4885NOTUM 2822/4885

“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.