SCHEMBL8776831

SCHEMBL8776831

COc1ccccc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.44
ADORA2A P29274 1/20 0.41
CYP1A2 P05177 7/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 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
SCHEMBL8776642 0.91 TP53 (0.41) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL8776753 0.90 MAOA (0.43) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL8776686 0.89 MAOA (0.40) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL8776454 0.89 MAOA (0.42) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL8776714 0.88 KMT2A (0.39) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL8776710 0.88 KDM4E (0.41) ALDH1A1SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL8777306 0.88 MEN1 (0.39) ALDH1A1SMN1; SMN2MAOAMAOBLMNA
SCHEMBL8776736 0.87 KDM4E (0.49) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL8776507 0.87 CRHR1 (0.43) ALDH1A1SMN1; SMN2HPGDLMNAKDM4E
SCHEMBL8777196 0.87 ELANE (0.40) ALDH1A1SMN1; SMN2HPGDMAOAMAOB

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 ALDH1A1 1125/4885SMN1; SMN2 3646/4885HPGD 1679/4885

“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.