SCHEMBL8775976

SCHEMBL8775976

COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMO O15229 2/20 0.46
PTGS2 P35354 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPP1CA P62136 3/20 0.39

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
SCHEMBL8775711 0.89 KDM4E (0.63) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8776012 0.88 PDE10A (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8775655 0.87 NPC1 (0.50) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8775257 0.86 PDE10A (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8775540 0.86 NPC1 (0.49) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8775991 0.85 CYP1A2 (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8777037 0.84 ADORA2A (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8776033 0.84 NPC1 (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8775983 0.81 NPC1 (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8775471 0.81 HSD17B14 (0.46) SMN1; SMN2NPC1RAB9AKMOADORA2A

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 SMN1; SMN2 3646/4885ALDH1A1 1125/4885KDM4E 1794/4885

“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.