SCHEMBL2223091

SCHEMBL2223091

CCC(Oc1cnc2ccc(I)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SCN9A Q15858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGDS O60760 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL2221580 0.89 ALDH1A1 (0.37) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL12181886 0.88 ALDH1A1 (0.49) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL2221463 0.87 ALDH1A1 (0.39) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL154893 0.84 ALDH1A1 (0.39) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL29814914 0.84 ALDH1A1 (0.39) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL12181856 0.83 ALDH1A1 (0.38) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL534845 0.81 MAPT (0.36) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL3605518 0.81 MAPT (0.38) ALDH1A1HSD17B10LMNAKDM4EF2
SCHEMBL3669425 0.81 SMN1; SMN2 (0.42) ALDH1A1SCN9AHSD17B10LMNAKDM4E
SCHEMBL534541 0.81 HSD17B10 (0.36) ALDH1A1HSD17B10LMNAKDM4EF2

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
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US claimed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP claimed
WO-2011087837-A9 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-09 WO claimed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 WO claimed
US-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 ALDH1A1 1771/4885SCN9A 105/4885HSD17B10 2734/4885

“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.