Sugi Predict

Sugi Predict / Compounds / 2-Nitroanisole

2-Nitroanisole

2-Nitroanisole

SCHEMBL1630291

COc1ccccc1[N+](=O)[O-].NS(N)(=O)=O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.82
▸ TDP1 Q9NUW8 1/20 0.82
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ RECQL P46063 1/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ AR P10275 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 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
2-Nitroanisole SCHEMBL29434934 0.91 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL186551 0.91 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL20328416 0.91 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL10504993 0.89 ALDH1A1 (0.82) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL10505922 0.89 ALDH1A1 (0.96) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL10505926 0.89 ALDH1A1 (0.96) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL30612723 0.89 ALDH1A1 (0.96) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL27725603 0.89 ALDH1A1 (0.96) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL27551402 0.87 ALDH1A1 (0.92) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL17920889 0.87 ALDH1A1 (0.92) ALDH1A1TDP1L3MBTL1NPC1RAB9A

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-8883877-B2 Materials based on radically polymerizable N,O-functionalized acrylic acid hydroxamides IVOCLAR VIVADENT AG (LI) 2014-11-11 — — US disclosed
US-20110130486-A1 Materials Based on Radically Polymerizable N,O-Functionalized Acrylic Acid Hydroxamides IVOCLAR VIVADENT AG (LI) 2011-06-02 — — US disclosed
US-7932303-B2 Materials based on radically polymerizable N,O-functionalized acrylic acid hydroxamides IVOCLAR VIVADENT AG (LI) 2011-04-26 — — US disclosed
EP-1974712-B1 Dental material based on radically polymerisable N,O-functionalised acrylic acid hydroxamides IVOCLAR VIVADENT AG (LI) 2010-10-27 — — EP disclosed
EP-1974712-A1 Dental material based on radically polymerisable N,O-functionalised acrylic acid hydroxamides Ivoclar Vivadent AG (LI) 2008-10-01 — — EP disclosed
US-20080234405-A1 very quickly cured; particularly suitable for dental purposes IVOCLAR VIVADENT AG (LI) 2008-09-25 — — 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 (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-20110130486-A1 Materials Based on Radically Polymerizable N,O-Functionalized Acrylic Acid Hydroxamides H1-0, H1-2, H1-3 ALDH1A1 260/4885TDP1 1965/4885L3MBTL1 4221/4885
US-20080234405-A1 very quickly cured; particularly suitable for dental purposes HRH4, HRH2, HRH3 ALDH1A1 1342/4885TDP1 4522/4885L3MBTL1 2862/4885

“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.