SCHEMBL1908685

SCHEMBL1908685

CNC(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ AOC3 Q16853 1/20 0.46

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
SCHEMBL13184504 0.92 TDP1 (0.54) ALDH1A1TDP1GAAKMT2AMEN1
SCHEMBL25791341 0.92 TDP1 (0.54) ALDH1A1TDP1GAAKMT2AMEN1
SCHEMBL24017075 0.81 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL24017076 0.81 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL8239398 0.79 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL13462356 0.79 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL6422240 0.79 AOC3 (0.53) CA1CA2CA12CA7CA9
SCHEMBL327954 0.79 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL22299837 0.77 CA1 (0.48) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL3654829 0.77 CA1 (0.55) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535594-B2 Microbiocidal picolinamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-12-27 — — US disclosed
EP-3728191-B1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2022-07-13 — — EP disclosed
US-20210107875-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-04-15 — — US disclosed
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 — — US disclosed
US-20140336134-A1 IAP BIR Domain Binding Compounds PHARMASCIENCE INC. (CA) 2014-11-13 — — US disclosed
US-8765681-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2014-07-01 — — US disclosed
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-03-21 — — US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-7645741-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates AEGERA THERAPEUTICS, INC. 2010-01-12 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 — — US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 — — US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 — — US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 — — US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — 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 (9 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 CA1 1723/4885CA2 1325/4885CA12 2195/4885
US-20140336134-A1 IAP BIR Domain Binding Compounds BIRC2, BIRC7, BIRC5 CA1 2484/4885CA2 2014/4885CA12 2830/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 CA1 2550/4885CA2 1844/4885CA12 1703/4885
US-11535594-B2 Microbiocidal picolinamide derivatives PRF1, CASP1, FPR1 CA1 1417/4885CA2 662/4885CA12 3103/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 CA1 2515/4885CA2 1895/4885CA12 3333/4885
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 CA1 3380/4885CA2 3146/4885CA12 3326/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 CA1 1669/4885CA2 593/4885CA12 1617/4885
US-20210107875-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES PRF1, CASP1, FPR1 CA1 1417/4885CA2 662/4885CA12 3103/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX CA1 2531/4885CA2 1959/4885CA12 3438/4885

“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.

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