SCHEMBL2223658

SCHEMBL2223658

CCC(Oc1ccc2ccc(Br)cc2c1)C(=O)NC(C)(C)CN=CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NCEH1 Q6PIU2 3/20 0.37
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
SMN1; SMN2 Q16637 5/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 3/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM1A O60341 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2A P29274 2/20 0.30

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
SCHEMBL9959822 1.00 LMNA (0.38) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2221495 0.82 LMNA (0.41) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2224013 0.81 LMNA (0.41) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2221839 0.81 LMNA (0.44) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2222286 0.81 LMNA (0.40) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2222560 0.77 LMNA (0.37) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2225298 0.72 LMNA (0.48) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2224818 0.71 SMN1; SMN2 (0.57) LMNAL3MBTL1NCEH1PPARGPPARA
SCHEMBL2222036 0.70 AKR1C3 (0.46) PPARGPPARA
SCHEMBL2222296 0.69 SCN9A (0.40) PPARGPPARASMN1; SMN2MAPTALDH1A1

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 8 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-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 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-2012087372-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO 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 LMNA 4018/4885L3MBTL1 861/4885NCEH1 271/4885

“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.