SCHEMBL4150422

SCHEMBL4150422

O=[N+]([O-])c1cccc([N+](=O)[O-])c1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.53
POLB P06746 2/20 0.51
S100A4 P26447 2/20 0.49
PTPRC P08575 1/20 0.49
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 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
SCHEMBL30117516 1.00 PDE10A (0.53) PDE10APOLBS100A4PTPRCLMNA
SCHEMBL8099282 0.88 GPR35 (0.50) PDE10APOLBS100A4PTPRCLMNA
SCHEMBL4146640 0.84 ALDH1A1 (0.50) PDE10APOLBS100A4PTPRCLMNA
SCHEMBL444702 0.83 ALDH1A1 (0.53) PDE10APOLBS100A4PTPRCLMNA
SCHEMBL11224715 0.83 F12 (0.52) PDE10ACYP1A2ALDH1A1MAPTMAPK1
SCHEMBL16387910 0.81 PDE10A (0.50) PDE10APOLBLMNAKDM4ECCR1
SCHEMBL27708627 0.80 KDM4E (0.46) PDE10APOLBS100A4PTPRCKDM4E
SCHEMBL5006757 0.80 ALDH1A1 (0.46) PDE10APOLBS100A4PTPRCLMNA
SCHEMBL15365995 0.80 F12 (0.46) PDE10APOLBS100A4PTPRCLMNA
SCHEMBL15874590 0.78 ALDH1A1 (0.61) PDE10APOLBLMNAKDM4ECCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN claimed
CN-110713454-B Nitro-substituted indole compound and preparation method thereof 南京工业大学 2022-12-09 CN disclosed
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-8952207-B2 Copper-catalyzed C—H bond arylation THE UNIVERSITY OF HOUSTON SYSTEM (US) 2015-02-10 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 US disclosed
US-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-03-19 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-20090076266-A1 COPPER-CATALYZED C-H BOND ARYLATION AOC2, AOC3, DBH PDE10A 3631/4885POLB 1853/4885S100A4 3553/4885

“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.