SCHEMBL3786521

SCHEMBL3786521

COc1ccc(-c2nc(-c3nc(Cl)c4ccccc4n3)ccc2C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ABCB1 P08183 3/20 0.40
▸ ABCC1 P33527 3/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NR1I3 Q14994 1/20 0.38

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
SCHEMBL8779739 0.89 ABCG2 (0.49) ABCG2ALDH1A1MAPK1KDM4EABCB1
SCHEMBL8779566 0.88 ABCG2 (0.48) ABCG2ALDH1A1MAPK1KDM4EABCB1
SCHEMBL3785974 0.81 ALDH1A1 (0.46) ABCG2ALDH1A1MAPK1KDM4EABCB1
SCHEMBL29360950 0.81 ALDH1A1 (0.46) ABCG2ALDH1A1MAPK1KDM4EABCB1
SCHEMBL3790573 0.78 GUSB (0.58) MAPK1KDM4ENPC1RAB9AMAPT
SCHEMBL8816999 0.78 ABCG2 (0.47) ABCG2ALDH1A1KDM4EABCB1ABCC1
SCHEMBL326797 0.76 ABCG2 (0.57) ABCG2ABCB1ABCC1L3MBTL1SMN1; SMN2
SCHEMBL30691836 0.76 PDGFRB (0.50) ABCG2ALDH1A1MAPK1KDM4EL3MBTL1
SCHEMBL25082162 0.76 ABCG2 (0.58) ABCG2ABCB1ABCC1SMN1; SMN2ACACA
SCHEMBL28975826 0.75 ALDH1A1 (0.41) ABCG2ALDH1A1MAPK1KDM4EABCB1

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 3 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
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 ABCG2 603/4885ALDH1A1 1125/4885MAPK1 158/4885

“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.

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