SCHEMBL2003146

SCHEMBL2003146

NCCc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
FOLH1 Q04609 1/20 0.72
HTR6 P50406 1/20 0.66
MCL1 Q07820 13/20 0.63
ALB P02768 1/20 0.56
BCL2 P10415 1/20 0.56

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
SCHEMBL5495499 0.87 HTR6 (0.66) KDM4EALDH1A1FOLH1HTR6MCL1
SCHEMBL2002751 0.87 FOLH1 (0.71) KDM4EALDH1A1FOLH1MCL1ALB
SCHEMBL5955774 0.85 ALDH1A1 (0.74) KDM4EALDH1A1FOLH1MCL1ALB
SCHEMBL29514964 0.84 FOLH1 (1.00) KDM4EALDH1A1FOLH1MCL1ALB
SCHEMBL9188195 0.84 KDM4E (1.00) KDM4EALDH1A1FOLH1MCL1
SCHEMBL223344 0.84 FOLH1 (1.00) KDM4EALDH1A1FOLH1MCL1ALB
SCHEMBL29432490 0.84 KDM4E (1.00) KDM4EALDH1A1FOLH1MCL1
SCHEMBL13701155 0.83 KDM4E (0.71) KDM4EALDH1A1FOLH1MCL1ALB
SCHEMBL9499798 0.82 HTR6 (0.76) KDM4EALDH1A1FOLH1HTR6MCL1
SCHEMBL3205801 0.81 KDM4E (0.69) KDM4EALDH1A1FOLH1MCL1ALB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-7429611-B2 Indole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-7429611-B2 Indole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
WO-2007017546-A3 METHOD OF OBTAINING TRYPTAMINE DERIVATIVES RAGACTIVES SL (ES) 2007-04-19 WO disclosed
WO-2007017546-A2 METHOD OF OBTAINING TRYPTAMINE DERIVATIVES RAGACTIVES, S.L. (ES) 2007-02-15 WO disclosed
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
WO-2006034391-A2 INDOLE INHIBITORS OF 15-LIPOXYGENASE BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20060063822-A1 Indole inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 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-20060063822-A1 Indole inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B KDM4E 1628/4885ALDH1A1 612/4885FOLH1 4220/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885ALDH1A1 178/4885FOLH1 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.