SCHEMBL2402284

SCHEMBL2402284

O=[N+]([O-])c1c(O)ncc(Br)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GPR35 Q9HC97 5/20 0.36
S100A4 P26447 2/20 0.36
ERN1 O75460 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CTSB P07858 1/20 0.30
GAA P10253 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL1366268 0.81 GRIN2D (0.40) MAPTGPR35S100A4MEN1KMT2A
SCHEMBL16475139 0.81 TSHR (0.38) MAPTGPR35S100A4MEN1KMT2A
SCHEMBL12269691 0.81 MAPT (0.39) MAPTGPR35S100A4CA1CA2
SCHEMBL30648722 0.81 TSHR (0.38) MAPTGPR35S100A4MEN1KMT2A
SCHEMBL30648688 0.78 MAPT (0.33) MAPTCA12CA1CA2CA9
SCHEMBL26640457 0.78 MAPT (0.33) MAPTCA12CA1CA2CA9
SCHEMBL21827637 0.78 GRIN2D (0.36) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL16475125 0.78 KDM4E (0.37) MAPTGPR35S100A4ERN1CA1
SCHEMBL31539684 0.77 ALDH1A1 (0.41) MAPTGPR35S100A4MEN1KMT2A
SCHEMBL30648812 0.76 MAPT (0.33) MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108498517-A A kind of pharmaceutical composition and preparation method thereof for treating fatty liver 曹婷 2018-09-07 CN claimed
CN-108498517-A A kind of pharmaceutical composition and preparation method thereof for treating fatty liver 曹婷 2018-09-07 CN disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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 (5 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 MAPT 4377/4885GPR35 3721/4885S100A4 776/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAPT 4377/4885GPR35 3721/4885S100A4 776/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAPT 4377/4885GPR35 3721/4885S100A4 776/4885
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2882/4885GPR35 81/4885S100A4 2386/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 MAPT 4377/4885GPR35 3721/4885S100A4 776/4885

“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.