SCHEMBL7567942

SCHEMBL7567942

NCCCC(=O)OC(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.43
KAT2B Q92831 2/20 0.40
CTSD P07339 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GRM8 O00222 1/20 0.35
GRM4 Q14833 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL7565004 0.84 CYP1A2 (0.47) CYP1A2TSHRALDH1A1KMT2AMEN1
SCHEMBL17094769 0.82 CYP1A2 (0.43) CYP1A2TSHRALDH1A1KDM4EMAPT
SCHEMBL13002941 0.81 ALDH1A1 (0.42) CYP1A2TSHRALDH1A1KAT2BCTSD
SCHEMBL8078638 0.81 ALDH1A1 (0.44) CYP1A2TSHRALDH1A1KAT2BCTSD
SCHEMBL9056707 0.79 ALDH1A1 (0.45) CYP1A2TSHRALDH1A1KAT2BCTSD
SCHEMBL7533289 0.79 ALDH1A1 (0.45) CYP1A2TSHRALDH1A1KAT2BCTSD
SCHEMBL12279667 0.79 MAPT (0.38) CYP1A2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7877336 0.77 CYP1A2 (0.55) CYP1A2TSHRALDH1A1MAPTRAB9A
SCHEMBL14735892 0.76 CYP1A2 (0.61) CYP1A2TSHRALDH1A1CTSDMAPT
SCHEMBL14733944 0.75 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002074176-A1 METHODS FOR MODULATING NEURAL ACTIVITY IN THE RETINA UNIVERSITY OF WASHINGTON (US) 2002-09-26 WO claimed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 EP disclosed
US-5635608-A CONTAINS PHOTOREMOVABLE ALPHA-CARBOXY-SUBSTITUTED ORTHO-NITROBENZYL GROUP THAT CHANGES THE FLUORESCENCE AND BIOLOGICAL PROPERTIES OF THE COMPOUND MOLECULAR PROBES, INC. (US) 1997-06-03 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-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 CYP1A2 2873/4885TSHR 1797/4885ALDH1A1 2026/4885

“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.