SCHEMBL8776768

SCHEMBL8776768

COc1ccc(F)c(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 6/20 0.46
MBNL1 Q9NR56 1/20 0.41
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL8776681 0.89 MBNL1 (0.40) NPC1RAB9AMBNL1SMN1; SMN2LMNA
SCHEMBL8776736 0.88 KDM4E (0.49) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL3791644 0.88 CRHR1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL8776465 0.86 MBNL1 (0.45) NPC1MBNL1L3MBTL1DHODHPDE2A
SCHEMBL3794038 0.86 MBNL1 (0.45) NPC1MBNL1PIM1NQO2DHODH
SCHEMBL8776507 0.86 CRHR1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL8776807 0.85 MBNL1 (0.44) NPC1MBNL1
SCHEMBL8776622 0.84 MBNL1 (0.43) NPC1MBNL1ALDH1A1MAPTMEN1
SCHEMBL8777051 0.84 NPC1 (0.37) NPC1RAB9AMBNL1ALDH1A1SMN1; SMN2
SCHEMBL8776097 0.84 NPC1 (0.49) NPC1RAB9AKDM1AALDH1A1SMN1; 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
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 814/4885MBNL1 4381/4885

“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.