SCHEMBL2979855

SCHEMBL2979855

Cc1cc2c([N+](=O)[O-])cccc2n1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.52
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL13206685 0.89 CCR2 (0.46) CCR2KDM4EALDH1A1LMNAMAPT
SCHEMBL1757701 0.86 RAB9A (0.46) CCR2KDM4EALDH1A1LMNAMAPT
SCHEMBL13206688 0.85 RAB9A (0.60) CCR2KDM4EALDH1A1LMNAMAPT
SCHEMBL28815311 0.80 KDM4E (0.57) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL27695738 0.79 ALDH1A1 (0.44) CCR2KDM4EGLAALDH1A1LMNA
SCHEMBL2988492 0.77 KDM4E (0.51) CCR2KDM4EGLAALDH1A1MAPK1
SCHEMBL28776219 0.76 PTGDR2 (0.41) CCR2KDM4EALDH1A1LMNAMAPT
SCHEMBL27648030 0.76 PTGDR2 (0.45) KDM4E
SCHEMBL1194101 0.76 THRA (0.49) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL13224503 0.75 KDM4E (0.49) KDM4EGLAALDH1A1MAPK1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
EP-1844012-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2006075139-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2006-07-20 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 (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-20080051586-A1 Novel Process for the Preparation of Substituted Indoles IDO1, IDO2, TPH1 CCR2 1316/4885KDM4E 565/4885GLA 3470/4885

“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.