SCHEMBL2001667

SCHEMBL2001667

O=C(O)c1cc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.58
▸ HPGD P15428 4/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GRIN2D O15399 2/20 0.58
▸ GRIN1 Q05586 2/20 0.58
▸ GRIN2A Q12879 2/20 0.58
▸ GRIN2B Q13224 2/20 0.58
▸ GRIN2C Q14957 2/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ AHR P35869 1/20 0.58
▸ CHRNA7 P36544 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58

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
SCHEMBL20495021 0.88 RHEB (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL2762114 0.88 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL30071297 0.88 RHEB (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL2761945 0.88 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL913901 0.84 FLT3 (0.50) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL2762314 0.84 HDAC11 (0.48) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL2761931 0.84 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL2761893 0.83 PIN1 (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPK1
SCHEMBL28168910 0.81 FBP1 (0.63) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL2761942 0.81 RHEB (0.56) KDM4EHPGDHSD17B10ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US claimed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 — — CN claimed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP claimed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US claimed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 — — CN claimed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP claimed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — WO claimed
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
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 — — WO disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 — — CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — WO disclosed
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 — — US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 — — 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 (2 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK KDM4E 1508/4885HPGD 4309/4885HSD17B10 4567/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885HPGD 770/4885HSD17B10 2378/4885

“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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