SCHEMBL463887

SCHEMBL463887

CC(=O)Nc1ccc(Oc2cccc(N)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.71
MTNR1A P48039 3/20 0.71
ALDH1A1 P00352 3/20 0.61
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MAOB P27338 1/20 0.54
HDAC3 O15379 1/20 0.54
BRAF P15056 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
3-Phenoxyaniline SCHEMBL8976227 0.93 MTNR1A (0.62) MTNR1BMTNR1AALDH1A1LMNAMAPT
SCHEMBL9162294 0.86 MTNR1B (0.77) MTNR1BMTNR1AALDH1A1LMNAMEN1
SCHEMBL3728921 0.85 MTNR1A (0.62) MTNR1BMTNR1AALDH1A1LMNAMAPT
SCHEMBL12172116 0.84 MTNR1B (0.73) MTNR1BMTNR1AALDH1A1MAPTMAOB
SCHEMBL3547563 0.84 PKM (0.62) MTNR1BMTNR1AALDH1A1LMNAMAPT
SCHEMBL28387561 0.84 PGR (0.65) LMNAHDAC3BRAFHDAC4HDAC1
SCHEMBL4630369 0.83 MTNR1B (1.00) MTNR1BMTNR1APGR
SCHEMBL171438 0.82 HPGD (0.71) MTNR1BMTNR1AALDH1A1MAPTMEN1
SCHEMBL31704006 0.82 MTNR1B (0.71) MTNR1BMTNR1AALDH1A1MAPTMEN1
SCHEMBL6516221 0.82 KMT2A (0.73) MTNR1BMTNR1AALDH1A1LMNAMAPT

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-20120065299-A1 Reactive graphtic carbon nanofiber reinforced polymeric composites LUKEHART CHARLES M (US) 2012-03-15 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-20120065299-A1 Reactive graphtic carbon nanofiber reinforced polymeric composites GMNN, GLMN, GCN1 MTNR1B 2287/4885MTNR1A 1121/4885ALDH1A1 2712/4885

“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.