SCHEMBL4104166

SCHEMBL4104166

CNCc1cc(-c2cccc(C)c2)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NOTUM Q6P988 1/20 0.44
NPC1 O15118 5/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
PRMT6 Q96LA8 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
SOS1 Q07889 1/20 0.39
THRB P10828 1/20 0.39
HTR7 P34969 1/20 0.39
GRM5 P41594 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL2898686 0.85 NOTUM (0.42) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL4902504 0.84 RAB9A (0.65) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL1545508 0.84 SOS1 (0.58) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL17922502 0.83 NOTUM (0.47) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL2900829 0.81 NOTUM (0.68) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL3955619 0.79 NOTUM (0.51) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL3723768 0.78 NOTUM (0.43) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL12266910 0.75 CSF1R (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL4089331 0.73 MEN1 (0.39) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL4048480 0.73 MEN1 (0.39) RAB9ASMN1; SMN2TDP1L3MBTL1ALDH1A1

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 5 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
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 RAB9A 1234/4885SMN1; SMN2 1719/4885TDP1 3126/4885

“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.