SCHEMBL3579044

SCHEMBL3579044

CCOC(=O)c1cc2cc(-c3ncc(Br)cn3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
ATM Q13315 1/20 0.37
FAAH O00519 5/20 0.36
OPRK1 P41145 1/20 0.35
ACACB O00763 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
IDO1 P14902 1/20 0.35
CSNK1D P48730 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3569096 0.88 PTGES (0.43) ALDH1A1TSHRPTGES
SCHEMBL3570957 0.86 MAOA (0.43) MAPTMAOAMAOBATMACACB
SCHEMBL3001562 0.82 PTGES (0.54) MAPTMAOAMAOBFAAHACACB
SCHEMBL4921912 0.81 MAOA (0.43) MAPTMAOAMAOBFAAHACACB
SCHEMBL3572573 0.79 PTGES (0.56) MAPTMAOAMAOBFAAHACACB
SCHEMBL3577884 0.78 GCK (0.41) MAPTMAOAMAOBACACBPTGES
SCHEMBL3579749 0.78 HRH3 (0.43) MAPTMAOAMAOBTSHRPTGES
SCHEMBL4096081 0.76 MAOA (0.41) MAPTMAOAMAOBFAAHACACB
SCHEMBL3571455 0.75 MAOA (0.41) MAPTMAOAMAOBFAAHACACB
SCHEMBL3574897 0.75 PTGES (0.40) ALDH1A1TSHRPTGES

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 5 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
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES MAPT 3268/4885MAOA 153/4885MAOB 123/4885

“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.