SCHEMBL8778658

SCHEMBL8778658

Cc1cccc(C)c1Sc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.40
HTR7 P34969 2/20 0.35
GRM5 P41594 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AR P10275 1/20 0.32
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL8778654 0.84 SMN1; SMN2 (0.52) CYP1A2GRM5L3MBTL1SMN1; SMN2NPC1
SCHEMBL8778596 0.83 HPGD (0.47) CYP1A2GRM5MEN1KMT2AL3MBTL1
SCHEMBL8515839 0.81 CYP1A2 (0.40) CYP1A2GRM5MEN1KMT2ASMN1; SMN2
SCHEMBL8775946 0.80 CYP1A2 (0.44) CYP1A2HTR7MEN1KMT2AL3MBTL1
SCHEMBL3786284 0.80 GRM5 (0.52) CYP1A2GRM5MEN1KMT2AL3MBTL1
SCHEMBL8778629 0.78 HTT (0.44) CYP1A2GRM5MEN1KMT2AL3MBTL1
SCHEMBL8778643 0.78 ALDH1A1 (0.44) CYP1A2GRM5MEN1KMT2AL3MBTL1
SCHEMBL8775528 0.78 CYP1A2 (0.44) CYP1A2MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL8778674 0.77 CCR1 (0.50) CYP1A2
SCHEMBL8778663 0.76 ABCG2 (0.49) CYP1A2GRM5MEN1KMT2AL3MBTL1

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 CYP1A2 18/4885HTR7 3853/4885GRM5 2204/4885

“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.