SCHEMBL4400129

SCHEMBL4400129

Cc1cc([N+](=O)[O-])c2cn[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.57
IDO1 P14902 3/20 0.51
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
TDO2 P48775 3/20 0.47
PIM3 Q86V86 5/20 0.47
PIM1 P11309 2/20 0.47
METAP2 P50579 1/20 0.46
GPR35 Q9HC97 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 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
SCHEMBL1250107 0.80 NOS1 (0.57) NOS1IDO1TDO2PIM3PIM1
SCHEMBL27228055 0.80 NOS1 (0.57) NOS1IDO1TDO2PIM3PIM1
SCHEMBL165798 0.80 NOS1 (0.57) NOS1IDO1TDO2PIM3PIM1
SCHEMBL4787604 0.80 NOS1 (0.57) NOS1IDO1TDO2PIM3PIM1
SCHEMBL27228483 0.80 NOS1 (0.53) NOS1IDO1GRIN2DGRIN3BGRIN1
SCHEMBL26938389 0.80 NOS1 (0.53) NOS1IDO1TDO2PIM3PIM1
SCHEMBL30856077 0.78 CYP1A2 (0.51) NOS1IDO1TDO2PIM3PIM1
SCHEMBL17349025 0.78 NOS1 (0.54) NOS1IDO1TDO2PIM3PIM1
SCHEMBL28666076 0.76 TDO2 (0.59) NOS1IDO1TDO2METAP2ALDH1A1
SCHEMBL2702741 0.75 PIM3 (0.63) NOS1IDO1TDO2PIM3PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107840826-B 1H-indazole derivatives and application thereof as IDO (intermediate bonded oxygen) inhibitor 西华大学 2021-07-09 CN disclosed
CN-107033087-B 1H-indazole-4-amine compounds and use thereof as IDO inhibitors 西华大学 2020-09-04 CN disclosed
WO-2017133258-A1 1H-INDAZOLE DERIVATIVE AND USE THEREOF AS IDO INHIBITOR 西华大学 2017-08-10 WO disclosed
EP-2013185-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-8178573-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-7943651-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-05-17 US disclosed
US-20100016331-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20090111866-A1 Novel Compounds GLAXO WELLCOME HOUSE (GB) 2009-04-30 US disclosed
WO-2009050220-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050243-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050221-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050218-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2008043788-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO disclosed
US-20070265326-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 US disclosed
US-20070265326-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 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 (3 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-20070265326-A1 NOVEL COMPOUNDS CCL11, MRGPRX2, LTB4R2 NOS1 370/4885IDO1 423/4885GRIN2D 3231/4885
US-20090111866-A1 Novel Compounds CCL11, MRGPRX2, LTB4R2 NOS1 370/4885IDO1 423/4885GRIN2D 3231/4885
US-20100016331-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R NOS1 275/4885IDO1 442/4885GRIN2D 4501/4885

“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.