SCHEMBL8776077

SCHEMBL8776077

COc1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 9/20 0.44
KDM1A O60341 1/20 0.43
CYP3A4 P08684 7/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP2D6 P10635 6/20 0.41
TSHR P16473 4/20 0.40
USP2 O75604 4/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
PPP1CA P62136 1/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL8775247 0.90 ALDH1A1 (0.46) MAOAMAOBCYP1A2CYP3A4ALDH1A1
SCHEMBL8775356 0.86 SMN1; SMN2 (0.47) MAOAMAOBCYP1A2CYP3A4ALDH1A1
SCHEMBL8775539 0.85 L3MBTL1 (0.47) MAOAMAOBCYP1A2CYP3A4ALDH1A1
SCHEMBL8776017 0.85 KCNH2 (0.45) MAOAMAOBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8776753 0.85 MAOA (0.43) MAOAMAOBCYP1A2KDM1ACYP3A4
SCHEMBL8776337 0.84 L3MBTL1 (0.41) MAOAMAOBCYP1A2ALDH1A1CYP2C19
SCHEMBL28110413 0.84 MAOA (0.56) MAOAMAOBCYP1A2CYP3A4ALDH1A1
SCHEMBL8775515 0.83 NPC1 (0.43) CYP1A2L3MBTL1LMNAKDM4ETDP1
SCHEMBL8776232 0.83 HTR7 (0.45) CYP1A2ALDH1A1CYP2C19SMN1; SMN2L3MBTL1
SCHEMBL8775767 0.82 MAP4K1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A

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 MAOA 737/4885MAOB 1067/4885CYP1A2 18/4885

“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.