SCHEMBL5858624

SCHEMBL5858624

COc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
PDE7A Q13946 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 3/20 0.45
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.42
CYP19A1 P11511 2/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.40
MAPK1 P28482 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40

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
SCHEMBL26112823 0.89 TUBB4A (0.46) TDP1PDE7ATSHRHTTMAPT
SCHEMBL6088806 0.84 MAPT (0.51) TDP1PDE7ATSHRHTTMAPT
SCHEMBL5956007 0.84 MAPT (0.52) TDP1PDE7ATSHRHTTMAPT
SCHEMBL7571419 0.83 ALDH1A1 (0.55) TDP1PDE7ATSHRHTTMAPT
SCHEMBL5859807 0.83 PDE7A (0.61) TDP1PDE7ATSHRHTTMAPT
SCHEMBL5857753 0.83 MAPT (0.46) TDP1PDE7ATSHRHTTMAPT
SCHEMBL5858567 0.81 MAPT (0.46) TDP1PDE7ATSHRMAPTALDH1A1
SCHEMBL11631033 0.79 PDE7A (0.55) TDP1PDE7ATSHRHTTMAPT
SCHEMBL6348646 0.79 PDE7A (0.55) TDP1PDE7ATSHRMAPTALDH1A1
SCHEMBL2419394 0.77 PDE7A (0.56) TDP1PDE7ATSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 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-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA TDP1 1700/4885PDE7A 2991/4885TSHR 1335/4885

“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.