SCHEMBL29322202

SCHEMBL29322202

O=c1[nH]c(=O)c2c(Cl)nc(Cl)c(Cl)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.38
GDA Q9Y2T3 1/20 0.37
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RUNX1 Q01196 1/20 0.31
CBFB Q13951 1/20 0.31

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
SCHEMBL31048291 0.81 GDA (0.34) TYMPGDAMAPT
SCHEMBL25081022 0.81 GDA (0.34) TYMPGDAMAPT
SCHEMBL7033733 0.68 GRIN2D (0.41) TYMPGDAMAPTKDM4EALDH1A1
SCHEMBL10820338 0.67 GDA (0.55) TYMPGDAMAPTKDM4EALDH1A1
SCHEMBL28906565 0.66 GDA (0.31) TYMPGDA
SCHEMBL7031113 0.64 CSNK2A2 (0.44) TYMPGDAMAPTKDM4EALDH1A1
SCHEMBL24984401 0.63 ALDH1A1 (0.38) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL7027217 0.63 HTT (0.42) TYMPGDA
SCHEMBL15929646 0.62 IDH1 (0.43) TYMPGDAMAPTALDH1A1
SCHEMBL31491233 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 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 (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-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 TYMP 400/4885GDA 712/4885MAPT 3890/4885

“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.