SCHEMBL8778952

SCHEMBL8778952

Cc1ccc(-c2ncc3ccccc3n2)nc1COCC#Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
MMP2 P08253 2/20 0.33
MMP12 P39900 2/20 0.33
CYP1A2 P05177 2/20 0.33
GBA1 P04062 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30
STAT3 P40763 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8778962 0.88 CYP1A2 (0.34) CYP1A2
SCHEMBL8778921 0.82 HTT (0.41) CYP1A2GBA1STAT3HTTSMN1; SMN2
SCHEMBL8871311 0.82 CYP1A2 (0.38) CYP1A2ALDH1A1STAT3HTTSMN1; SMN2
SCHEMBL8871981 0.79 CYP1A2 (0.40) CYP1A2ALDH1A1STAT3HTTSMN1; SMN2
SCHEMBL8766869 0.76 CYP1A2 (0.39) CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL3786388 0.74 CYP1A2 (0.40) CYP1A2ALDH1A1STAT3HTTSMN1; SMN2
SCHEMBL8778526 0.74 CYP1A2 (0.36) CYP1A2
SCHEMBL8778854 0.73 CYP1A2 (0.39) CYP1A2GBA1ALDH1A1STAT3HTT
SCHEMBL8778361 0.71 CYP1A2 (0.39) CYP1A2ALDH1A1HTR2CHTR2BSMN1; SMN2
SCHEMBL8778366 0.70 CYP1A2 (0.38) CYP1A2ALDH1A1HTTSMN1; 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 2 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

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 KCNH2 767/4885MMP2 4038/4885MMP12 3741/4885

“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.