SCHEMBL6046636

SCHEMBL6046636

NNC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
IDO1 P14902 2/20 0.57
MAPT P10636 2/20 0.52
AKR1C3 P42330 1/20 0.51
NPC1 O15118 1/20 0.50
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
HTR2A P28223 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49

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
Hydrochloric Acid SCHEMBL11574226 0.98 IDO1 (0.58) RAB9AIDO1MAPTAKR1C3NPC1
SCHEMBL2299040 0.88 IDO1 (0.58) RAB9AIDO1MAPTAKR1C3NPC1
SCHEMBL11161448 0.85 IDO1 (0.54) RAB9AIDO1MAPTAKR1C3ALDH1A1
SCHEMBL11161443 0.85 IDO1 (0.54) RAB9AIDO1MAPTAKR1C3ALDH1A1
SCHEMBL10402671 0.84 IDO1 (0.53) RAB9AIDO1MAPTAKR1C3ALDH1A1
SCHEMBL6395921 0.84 IDO1 (0.53) RAB9AIDO1MAPTAKR1C3ALDH1A1
SCHEMBL10500161 0.84 DPP8 (0.58) RAB9AIDO1MAPTAKR1C3DPP8
SCHEMBL11165857 0.84 IDO1 (0.53) RAB9AIDO1MAPTAKR1C3ALDH1A1
SCHEMBL7108760 0.83 IDO1 (0.56) RAB9AIDO1MAPTAKR1C3NPC1
SCHEMBL11069589 0.82 IDO1 (0.51) RAB9AIDO1MAPTAKR1C3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281686-A1 Aza-peptides LABORATOIRES SERONO SA (CH) 2006-12-14 US disclosed
CN-1124846-C N, N' -bis (sulfonyl) hydrazines as antitumor agents UNIV YALE (US) 2003-10-22 CN disclosed
CN-1278169-A N, N' -bis (sulfonyl) hydrazines as antitumor agents UNIV YALE (US) 2000-12-27 CN disclosed
US-4377591-A CARBAPENICILLIN ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1983-03-22 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-20060281686-A1 Aza-peptides APP, APBA1, IAPP RAB9A 3494/4885IDO1 3262/4885MAPT 302/4885

“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.