SCHEMBL2003960

SCHEMBL2003960

O=C(O)c1c[nH]c2cccc(O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CASP6 P55212 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ DNMT1 P26358 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MCL1 Q07820 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HTR2C P28335 3/20 0.47
▸ HTR2A P28223 3/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45

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
SCHEMBL397484 0.88 CYP1A2 (0.56) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL3995494 0.80 GPR84 (0.51) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL2769281 0.80 CYP2A6 (0.53) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL2034897 0.80 GPR84 (0.51) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL3996872 0.80 NR4A2 (0.67) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6838151 0.78 CYP1A2 (0.49) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL25229209 0.77 HTR2A (0.50) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL11793596 0.76 CTNNB1 (0.49) GAAKDM4EALDH1A1CASP6MEN1
SCHEMBL7359725 0.76 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2AHTR2C
SCHEMBL7271187 0.76 KDM4E (0.45) GAAKDM4EALDH1A1CASP6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 — — CN disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 — — EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 — — EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 — — US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 — — 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 (3 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 GAA 4587/4885KDM4E 2243/4885ALDH1A1 1229/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 GAA 3213/4885KDM4E 4314/4885ALDH1A1 1494/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT GAA 1769/4885KDM4E 2232/4885ALDH1A1 178/4885

“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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