SCHEMBL8775971

SCHEMBL8775971

COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
CRHR1 P34998 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL8775432 0.88 MEN1 (0.47) NPC1RAB9ACRHR1SMN1; SMN2ALDH1A1
SCHEMBL8775564 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3791644 0.86 CRHR1 (0.43) NPC1RAB9ACRHR1CYP11B1CYP11B2
SCHEMBL8775546 0.85 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8776023 0.85 MAPT (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8776097 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8776413 0.83 MEN1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8775504 0.82 GRM2 (0.39) NPC1RAB9ACRHR1SMN1; SMN2ALDH1A1
SCHEMBL3794048 0.82 AR (0.39) NPC1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL8775528 0.82 CYP1A2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 NPC1 346/4885RAB9A 814/4885CRHR1 4664/4885

“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.