SCHEMBL2247456

SCHEMBL2247456

O=c1c2ccccc2c(=O)n2n1CCOCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PRKDC P78527 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ACE P12821 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ APAF1 O14727 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ ELANE P08246 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL6460809 0.69 ALDH1A1 (0.49) RXFP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13721118 0.69 KDM4E (0.51) ALDH1A1ATML3MBTL1KDM4EELANE
SCHEMBL14559873 0.68 RXFP1 (0.56) RXFP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8292259 0.68 RXFP1 (0.55) RXFP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18153220 0.68 RXFP1 (0.45) RXFP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29987745 0.68 RXFP1 (0.45) RXFP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11287130 0.67 PHOSPHO1 (0.50) ALDH1A1MEN1KMT2AKDM4ECASP3
SCHEMBL14911731 0.67 PRKDC (0.46) ALDH1A1PRKDCKDM4EAPAF1CDC25B
SCHEMBL25412172 0.65 MAT2A (0.41) MEN1KMT2AATML3MBTL1PRKDC
SCHEMBL14280374 0.64 KMT2A (1.00) ALDH1A1MEN1KMT2AKDM4ELMNA

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
US-20110207925-A1 PROCESS FOR THE PREPARATION OF [1,4,5]-OXADIAZEPINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 — — US disclosed
EP-1838683-B1 A PROCESS FOR THE PREPARATION [1,4,5]-OXADIAZEPINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-29 — — EP disclosed
EP-1838683-A1 A PROCESS FOR THE PREPARATION [1,4,5]-OXADIAZEPINE DERIVATIVES Syngeta Participations AG (CH) 2007-10-03 — — EP disclosed
WO-2006045587-A1 A PROCESS FOR THE PREPARATION OF [1,4,5]-OXADIAZEPINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-05-04 — — 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-20110207925-A1 PROCESS FOR THE PREPARATION OF [1,4,5]-OXADIAZEPINE DERIVATIVES CACNA1D, GRIK4, GRIK5 RXFP1 2807/4885ALDH1A1 373/4885MEN1 2885/4885

“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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