SCHEMBL5020449

SCHEMBL5020449

C/C(=N\OCCCc1cccc(-c2ccnc(-c3ccccc3)n2)n1)c1cccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
PPARG P37231 4/20 0.35
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
PPARA Q07869 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 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
SCHEMBL5020217 0.88 HSP90AA1 (0.34) L3MBTL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5020377 0.88 HSP90AA1 (0.34) L3MBTL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5020444 0.87 NPC1 (0.36) L3MBTL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5020379 0.86 SMN1; SMN2 (0.40) MEN1KMT2AMAPTL3MBTL1KDM4E
SCHEMBL5020366 0.86 CCR1 (0.41) MEN1KMT2AL3MBTL1GABRA1GABRG2
SCHEMBL15465601 0.85 GRM5 (0.34) L3MBTL1PPARGPPARANPC1RAB9A
SCHEMBL15465604 0.85 GRM5 (0.34) L3MBTL1PPARGPPARANPC1RAB9A
SCHEMBL5020221 0.85 GRM5 (0.34) L3MBTL1PPARGPPARANPC1RAB9A
SCHEMBL5020446 0.85 PIK3CA (0.34) L3MBTL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5020448 0.85 HSP90AA1 (0.34) L3MBTL1NPC1RAB9ASMN1; SMN2CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 MEN1 1324/4885KMT2A 3668/4885MAPT 4500/4885

“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.