SCHEMBL5067765

SCHEMBL5067765

O=C(O)NCC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
P2RX7 Q99572 6/20 0.50
THRB P10828 2/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
AVPR1A P37288 1/20 0.47

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
SCHEMBL20746152 0.83 P2RX7 (0.60) TP53LMNAALDH1A1MAPTP2RX7
SCHEMBL2343711 0.75 NPC1 (0.56) LMNAALDH1A1MAPTKMT2AKDM4E
SCHEMBL23728129 0.73 NPC1 (0.75) LMNAALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL8842386 0.72 MAPT (0.59) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL2085614 0.72 MAPT (0.62) LMNAHTTALDH1A1MAPTPKM
SCHEMBL23727617 0.72 NPC1 (0.52) ALDH1A1KMT2AMEN1
SCHEMBL7226059 0.71 MAPT (0.54) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL5523347 0.71 MAPT (0.51) TP53LMNAHTTALDH1A1MAPT
SCHEMBL6073665 0.70 MAPT (0.52) LMNAHTTALDH1A1MAPTPKM
SCHEMBL24994429 0.69 ALDH1A1 (0.62) LMNAHTTALDH1A1MAPTKMT2A

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-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 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-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD TP53 935/4885LMNA 3549/4885HTT 3457/4885

“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.