SCHEMBL8777964

SCHEMBL8777964

COc1cccc(Cc2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
DHFR P00374 1/20 0.44
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
BRD4 O60885 1/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL8778044 0.84 CYP2C19 (0.38) MAPTHTTLMNAMEN1KMT2A
SCHEMBL3787262 0.84 CYP1A2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL29368748 0.84 CYP1A2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL8778508 0.83 MAPT (0.47) MAPTSMN1; SMN2HTTDHFRLMNA
SCHEMBL8778329 0.83 PDE10A (0.41) MAPTSMN1; SMN2HTTDHFRLMNA
SCHEMBL8777914 0.82 KDM4E (0.39) MAPTMEN1KMT2AHPGDCYP1A2
SCHEMBL8777888 0.79 SMN1; SMN2 (0.40) MAPTSMN1; SMN2HTTLMNAMEN1
SCHEMBL8775416 0.79 CYP1A2 (0.50) MAPTSMN1; SMN2NPC1RAB9AUSP2
SCHEMBL8777792 0.79 APP (0.41) KMT2ATLR8TLR7CYP1A2CYP3A4
SCHEMBL8778109 0.79 PDE10A (0.42) MAPTSMN1; SMN2HTTLMNAMEN1

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 MAPT 3067/4885SMN1; SMN2 3646/4885HTT 2814/4885

“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.