SCHEMBL3567949

SCHEMBL3567949

CCOC(=O)c1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.52
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
AR P10275 4/20 0.46
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 6/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
PRKCZ Q05513 1/20 0.39

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
SCHEMBL3582741 0.85 PTGES (0.54) PTGESRAB9AHTTL3MBTL1MAPT
SCHEMBL3578959 0.83 PTGES (0.77) PTGESGAARAB9AMAPTTP53
SCHEMBL3572573 0.82 PTGES (0.56) PTGESGAARAB9AMAPTALDH1A1
SCHEMBL6298947 0.80 NOD2 (0.68) NOD2NOD1ARHTTL3MBTL1
SCHEMBL3001562 0.80 PTGES (0.54) PTGESGAARAB9AMAPTLMNA
SCHEMBL6019391 0.79 NOD2 (0.55) NOD2NOD1ARGAARAB9A
SCHEMBL3566015 0.79 CYP2C9 (0.51) PTGESGAARAB9AHTTL3MBTL1
SCHEMBL3574704 0.74 PTGES (0.59) PTGESGAARAB9AHTTMAPT
SCHEMBL3575712 0.74 PTGES (0.64) PTGESRAB9AHTTMAPTTP53
SCHEMBL4922786 0.73 PTGES (0.62) PTGESGAAMAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885NOD2 1224/4885NOD1 842/4885

“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.