SCHEMBL8776948

SCHEMBL8776948

COc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SYK P43405 1/20 0.42
ADORA2A P29274 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL8777221 0.91 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8777121 0.89 CYP1A2 (0.45) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8777081 0.88 NPC1 (0.49) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3787309 0.88 ALDH1A1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8776881 0.87 CYP1A2 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8777140 0.87 CYP1A2 (0.50) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8776971 0.87 PDE10A (0.48) RAB9ASMN1; SMN2ALDH1A1NFKB1NFKB2
SCHEMBL8776938 0.87 PDE10A (0.51) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8776997 0.86 CYP1A2 (0.42) CYP1A2ADORA2AADORA3PDE10A
SCHEMBL8515449 0.85 CYP1A2 (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201158-B2 Plant disease control composition and method for controlling plant disease by application of same MITSUI CHEMICALS AGRO, INC. (JP) 2019-02-12 US disclosed
US-20170094971-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLICATION OF SAME MITSUI CHEMICALS AGRO, INC. (JP) 2017-04-06 US disclosed
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 (3 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-10201158-B2 Plant disease control composition and method for controlling plant disease by application of same BROX, HAX1, CHRM1 NPC1 1078/4885RAB9A 169/4885KDM4E 647/4885
US-20170094971-A1 PLANT DISEASE CONTROL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE BY APPLICATION OF SAME BROX, HAX1, CHRM1 NPC1 1078/4885RAB9A 169/4885KDM4E 647/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 NPC1 346/4885RAB9A 814/4885KDM4E 1794/4885

“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.