SCHEMBL8778596

SCHEMBL8778596

c1ccc(Sc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 4/20 0.40
GRM5 P41594 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PPP1CA P62136 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3786284 0.90 GRM5 (0.52) HPGDHTTCYP1A2GRM5SMN1; SMN2
SCHEMBL8778654 0.89 SMN1; SMN2 (0.52) HPGDHTTCYP1A2GRM5SMN1; SMN2
SCHEMBL8778629 0.89 HTT (0.44) HPGDHTTCYP1A2GRM5SMN1; SMN2
SCHEMBL8778663 0.84 ABCG2 (0.49) HTTCYP1A2GRM5SMN1; SMN2MEN1
SCHEMBL8778658 0.83 CYP1A2 (0.40) HTTCYP1A2GRM5SMN1; SMN2MEN1
SCHEMBL8778643 0.81 ALDH1A1 (0.44) HPGDCYP1A2GRM5SMN1; SMN2MEN1
SCHEMBL8778660 0.79 MAPT (0.42) HPGDHTTCYP1A2SMN1; SMN2MEN1
SCHEMBL8515839 0.78 CYP1A2 (0.40) CYP1A2GRM5SMN1; SMN2MEN1ALDH1A1
SCHEMBL3784385 0.76 RAB9A (0.55) CYP1A2SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3788203 0.73 CYP1A2 (0.45) HPGDCYP1A2SMN1; SMN2MEN1ALDH1A1

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 HPGD 1679/4885HTT 2814/4885CYP1A2 18/4885

“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.