SCHEMBL2523629

SCHEMBL2523629

OC(c1cccnc1)c1c(-c2ccc(Cl)cc2Cl)coc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
MAPK14 Q16539 2/20 0.37
GCGR P47871 1/20 0.37
CYP17A1 P05093 1/20 0.36
KCNA5 P22460 3/20 0.36
MARS1 P56192 4/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCND3 Q9UK17 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RPS6KA3 P51812 1/20 0.34
CYP3A4 P08684 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MME P08473 1/20 0.33

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
SCHEMBL2522863 0.94 CYP19A1 (0.39) CYP19A1SMN1; SMN2NPC1RAB9ACYP17A1
SCHEMBL2518564 0.92 CYP17A1 (0.36) CYP19A1SMN1; SMN2MAPK14CYP17A1KCNA5
SCHEMBL2522146 0.90 KCNA5 (0.39) CYP19A1SMN1; SMN2NPC1RAB9AMAPK14
SCHEMBL2525502 0.88 CYP19A1 (0.36) CYP19A1SMN1; SMN2MAPK14CYP17A1KCNA5
SCHEMBL2525504 0.88 CYP19A1 (0.38) CYP19A1SMN1; SMN2CYP17A1KCNA5LMNA
SCHEMBL2519033 0.88 KCNA5 (0.43) CYP19A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL2518698 0.85 CYP17A1 (0.39) SMN1; SMN2CYP17A1KCNA5LMNAL3MBTL1
SCHEMBL2524582 0.85 KCNA5 (0.41) CYP19A1SMN1; SMN2NPC1RAB9ACYP17A1
SCHEMBL2200424 0.83 ATM (0.44) CYP19A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL2525362 0.83 CYP19A1 (0.44) CYP19A1SMN1; SMN2NPC1RAB9ACYP17A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US disclosed
US-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-10-18 US 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 (2 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-20070244162-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NOX5, CYP3A5, API5 CYP19A1 210/4885SMN1; SMN2 3172/4885NPC1 2117/4885
US-20110251069-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS FKBP5, FKBP2, FKBP1B CYP19A1 1078/4885SMN1; SMN2 4879/4885NPC1 4765/4885

“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.