SCHEMBL8777743

SCHEMBL8777743

Clc1cccc(Cl)c1Cc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
TAAR1 Q96RJ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
PPP1CA P62136 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
METAP1 P53582 1/20 0.32
LMNA P02545 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
AR P10275 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
POLB P06746 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
SCHEMBL3787471 0.88 CYP1A2 (0.37) CYP1A2SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL8778027 0.84 CYP1A2 (0.38) CYP1A2SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL8778039 0.84 CYP1A2 (0.38) CYP1A2NPC1PCSK9
SCHEMBL8778052 0.84 S1PR3 (0.37) CYP1A2SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL8778144 0.83 USP1 (0.39) CYP1A2SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL8778217 0.82 USP1 (0.41) CYP1A2NPC1TDP1MEN1KMT2A
SCHEMBL8778306 0.82 SMN1; SMN2 (0.46) CYP1A2SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL8777799 0.82 PTGER1 (0.39) CYP1A2SMN1; SMN2HTTL3MBTL1NPC1
SCHEMBL13063656 0.82 CYP1A2 (0.34) CYP1A2SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL29368748 0.82 CYP1A2 (0.40) CYP1A2SMN1; SMN2L3MBTL1NPC1PPP1CA

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 18/4885TAAR1 2289/4885SMN1; SMN2 3646/4885

“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.