SCHEMBL2012674

SCHEMBL2012674

N#CCc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
FOLH1 Q04609 1/20 0.61
EGFR P00533 1/20 0.56
SRC P12931 1/20 0.56
MCL1 Q07820 9/20 0.55
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALB P02768 1/20 0.49
BCL2 P10415 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL28402205 0.87 EGFR (0.52) KDM4EALDH1A1FOLH1EGFRSRC
SCHEMBL9816572 0.84 KDM4E (0.61) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL9503673 0.82 KDM4E (0.52) KDM4EALDH1A1EGFRSRCHTT
SCHEMBL13701155 0.82 KDM4E (0.71) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL12326581 0.80 HTR6 (0.67) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29621784 0.80 KDM4E (0.69) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL3205801 0.80 KDM4E (0.69) KDM4EALDH1A1FOLH1MCL1HPGD
SCHEMBL28404248 0.79 EGFR (0.48) KDM4EALDH1A1FOLH1EGFRSRC
SCHEMBL7463580 0.79 KDM4E (0.71) KDM4EALDH1A1FOLH1EGFRMCL1
SCHEMBL1093663 0.79 KDM4E (0.67) KDM4EALDH1A1FOLH1MCL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC. (US) 2011-12-22 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 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 (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 KDM4E 2243/4885ALDH1A1 1229/4885FOLH1 3496/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885ALDH1A1 178/4885FOLH1 123/4885
US-20110312938-A1 Pyrrolopyridine Carboxylic Acid Derivatives SDHA, ALDH5A1, SDHB KDM4E 3282/4885ALDH1A1 50/4885FOLH1 913/4885

“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.