SCHEMBL27044664

SCHEMBL27044664

CCc1cc(C)c(Cl)c(N)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.34
ALOX15 P16050 2/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 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
SCHEMBL26885033 0.82 NOS3 (0.39) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL26885045 0.77 ALDH1A1 (0.42) ALDH1A1MAPTGAAALOX15POLB
SCHEMBL26453767 0.76 CYP3A4 (0.33) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL27496979 0.74 ALDH1A1 (0.39) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL25112322 0.69 NOS3 (0.39) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL26885126 0.69 NOS3 (0.39) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL16483012 0.69 CYP3A4 (0.34) NOS3NOS1NOS2ALOX15CYP3A4
SCHEMBL27044713 0.69 NOS3 (0.32) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL26884936 0.69 GAA (0.36) ALDH1A1MAPTGAAALOX15POLB
SCHEMBL17736230 0.69 GAA (0.38) ALDH1A1MAPTGAAALOX15POLB

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 ALDH1A1 1000/4885MAPT 3374/4885NOS3 4696/4885

“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.