SCHEMBL8777437

SCHEMBL8777437

c1ccc(-c2cccc(Oc3cccc(-c4ncc5ccccc5n4)n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.41
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAP4K4 O95819 1/20 0.38
HTT P42858 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
KDR P35968 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3786821 0.90 HTT (0.47) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL8777406 0.86 HAO1 (0.43) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL8777355 0.85 MAPT (0.50) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL8777462 0.85 KMT2A (0.45) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL8777452 0.85 MAP4K4 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1MAP4K4
SCHEMBL8777542 0.81 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19MAPK1ALDH1A1
SCHEMBL8777448 0.81 MAPT (0.43) CYP1A2NPC1RAB9AALDH1A1MAP4K4
SCHEMBL8777351 0.80 HTT (0.52) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL8777455 0.80 HTT (0.52) CYP1A2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL8777404 0.80 KMT2A (0.52) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1

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
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 CYP1A2 18/4885CYP2C9 34/4885CYP2C19 38/4885

“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.