SCHEMBL6485115

SCHEMBL6485115

CN(N)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
PAX8 Q06710 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.43
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL3927132 0.86 PDE10A (0.51) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL29686462 0.79 PAX8 (0.48) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL2634676 0.79 PAX8 (0.48) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL11013826 0.79 MEN1 (0.48) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL29508900 0.78 PDE10A (0.47) PDE10AALDH1A1POLBPAX8MEN1
Hydrochloric Acid SCHEMBL10812344 0.78 MEN1 (0.47) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL6606178 0.77 PDE10A (0.46) PDE10AALDH1A1POLBMEN1KMT2A
SCHEMBL8985904 0.76 ALDH1A1 (0.51) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL10810225 0.75 MEN1 (0.51) PDE10AALDH1A1POLBPAX8MEN1
SCHEMBL1699196 0.75 LMNA (0.55) ALDH1A1POLBMEN1KMT2ACYP1A2

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
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO 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 (2 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-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP PDE10A 3636/4885ALDH1A1 583/4885POLB 1563/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP PDE10A 3636/4885ALDH1A1 583/4885POLB 1563/4885

“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.