SCHEMBL3786284

SCHEMBL3786284

Clc1ccc(Sc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
PPP1CA P62136 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 2/20 0.38
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8778596 0.90 HPGD (0.47) GRM5SMN1; SMN2PPP1CAL3MBTL1MAPT
SCHEMBL8778629 0.88 HTT (0.44) GRM5SMN1; SMN2PPP1CAL3MBTL1MEN1
SCHEMBL8778654 0.88 SMN1; SMN2 (0.52) GRM5SMN1; SMN2LMNAPOLBGAA
SCHEMBL8778643 0.83 ALDH1A1 (0.44) GRM5SMN1; SMN2LMNAPPP1CAL3MBTL1
SCHEMBL8775312 0.80 RAB9A (0.51) SMN1; SMN2LMNAGAAL3MBTL1TP53
SCHEMBL8778658 0.80 CYP1A2 (0.40) GRM5SMN1; SMN2GAAPPP1CAL3MBTL1
SCHEMBL8778663 0.78 ABCG2 (0.49) GRM5SMN1; SMN2PPP1CAL3MBTL1MAPT
SCHEMBL3787346 0.76 CYP1A2 (0.45) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8778144 0.75 USP1 (0.39) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL8777351 0.75 HTT (0.52) SMN1; SMN2POLBL3MBTL1MEN1KMT2A

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 7 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
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
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
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 GRM5 2204/4885SMN1; SMN2 3646/4885LMNA 3612/4885

“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.