SCHEMBL8871981

SCHEMBL8871981

COCc1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.33
HTT P42858 4/20 0.33
STAT3 P40763 2/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TSHR P16473 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
MIF P14174 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.31
HTR3A P46098 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8871311 0.87 CYP1A2 (0.38) CYP1A2SMN1; SMN2HTTSTAT3NPC1
SCHEMBL8778921 0.85 HTT (0.41) CYP1A2SMN1; SMN2HTTSTAT3TSHR
SCHEMBL8778962 0.82 CYP1A2 (0.34) CYP1A2
SCHEMBL3786388 0.81 CYP1A2 (0.40) CYP1A2SMN1; SMN2HTTSTAT3KDM4E
SCHEMBL8778396 0.80 LMNA (0.38) CYP1A2SMN1; SMN2HTTNPC1KDM4E
SCHEMBL8778854 0.80 CYP1A2 (0.39) CYP1A2SMN1; SMN2HTTSTAT3NPC1
SCHEMBL8778361 0.80 CYP1A2 (0.39) CYP1A2SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL8778952 0.79 KCNH2 (0.33) CYP1A2SMN1; SMN2HTTSTAT3ALDH1A1
SCHEMBL8778366 0.79 CYP1A2 (0.38) CYP1A2SMN1; SMN2HTTNPC1ALDH1A1
SCHEMBL8778671 0.78 CYP1A2 (0.46) CYP1A2STAT3NPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 18/4885SMN1; SMN2 3646/4885HTT 2814/4885

“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.