SCHEMBL5457891

SCHEMBL5457891

CC(=O)Nc1ccc(N2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.64
PKM P14618 1/20 0.59
MAPK1 P28482 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 6/20 0.57
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL7809558 0.90 MAPT (0.67) MAPTPKMMAPK1SMN1; SMN2MEN1
SCHEMBL975415 0.88 MAPT (0.59) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL21753620 0.86 MAPT (0.61) MAPTMAPK1ALDH1A1NPSR1
SCHEMBL16262970 0.84 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16262967 0.84 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21588984 0.84 MAPT (0.55) MAPTPKMMAPK1SMN1; SMN2MEN1
SCHEMBL19633486 0.82 KMT2A (0.50) MAPTPKMMAPK1MEN1KMT2A
SCHEMBL1631388 0.81 MAPT (0.56) MAPTPKMMAPK1SMN1; SMN2MEN1
SCHEMBL19633305 0.81 MAPT (0.54) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL19633404 0.80 MAPT (0.53) MAPTPKMMAPK1MEN1KMT2A

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
CN-108264511-B Heterocyclic derivative, preparation method thereof and application thereof in medicine 浙江海正药业股份有限公司 2021-04-13 CN disclosed
US-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR MAPT 4441/4885PKM 3630/4885MAPK1 1126/4885

“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.