SCHEMBL27044713

SCHEMBL27044713

CCc1cc(N)c(F)c(C)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
WDR5 P61964 6/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.31
RBBP5 Q15291 2/20 0.31
ASH2L Q9UBL3 2/20 0.31
HTT P42858 1/20 0.31
CD44 P16070 1/20 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
SCHEMBL27044682 0.74 AR (0.35) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL26890849 0.74 POLB (0.31) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL26884802 0.73 AR (0.34)
SCHEMBL26694576 0.72 POLB (0.33) WDR5ALDH1A1MAPTPOLBKMT2A
SCHEMBL27044720 0.72 AR (0.31)
SCHEMBL26885127 0.71 CD44 (0.31) CD44
SCHEMBL23243523 0.70 CYP3A4 (0.50) WDR5KMT2ARBBP5ASH2L
SCHEMBL31424206 0.70 WDR5 (0.41) WDR5KMT2ARBBP5ASH2L
SCHEMBL26884943 0.70 AR (0.35) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL15556916 0.69 HTT (0.39) NOS3NOS1NOS2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. 2024-01-25 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-20240025919-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF AZI2, TET3, OXA1L NOS3 4696/4885NOS1 4756/4885NOS2 4592/4885

“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.