SCHEMBL8775247

SCHEMBL8775247

COc1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 5/20 0.43
HSD17B10 Q99714 4/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 4/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
CYP2D6 P10635 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 1/20 0.43
METAP2 P50579 1/20 0.42

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
SCHEMBL8775356 0.91 SMN1; SMN2 (0.47) ALDH1A1MAOAMAOBSMN1; SMN2CYP1A2
SCHEMBL8776077 0.90 MAOA (0.44) ALDH1A1MAOAMAOBSMN1; SMN2CYP1A2
SCHEMBL8775539 0.87 L3MBTL1 (0.47) ALDH1A1MAOAMAOBSMN1; SMN2HPGD
SCHEMBL8776017 0.87 KCNH2 (0.45) ALDH1A1MAOAMAOBSMN1; SMN2MEN1
SCHEMBL8776232 0.87 HTR7 (0.45) ALDH1A1SMN1; SMN2CYP1A2LMNAKDM4E
SCHEMBL8775908 0.86 HPGD (0.44) ALDH1A1SMN1; SMN2HPGDCYP1A2HSD17B10
SCHEMBL8775432 0.86 MEN1 (0.47) ALDH1A1SMN1; SMN2CYP1A2HSD17B10LMNA
SCHEMBL8775546 0.86 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL8775725 0.86 MAOA (0.41) ALDH1A1MAOAMAOBSMN1; SMN2HPGD
SCHEMBL28110413 0.85 MAOA (0.56) ALDH1A1MAOAMAOBSMN1; SMN2HPGD

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 3 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
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 1125/4885MAOA 737/4885MAOB 1067/4885

“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.