SCHEMBL870525

SCHEMBL870525

NC(Cc1c[nH]c2ccc(-c3cnn(Cc4ccccc4)c3)cc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
LTA4H P09960 1/20 0.56
PLA2G2A P14555 1/20 0.56
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
MPO P05164 1/20 0.54
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL869420 0.92 KMT2A (0.54) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL31370035 0.84 KMT2A (0.58) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL19871233 0.82 KMT2A (0.71) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL18029018 0.82 KMT2A (0.71) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL23791882 0.80 KMT2A (0.64) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL31370079 0.77 KMT2A (0.60) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL18029005 0.77 KMT2A (0.65) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL18029201 0.77 KMT2A (0.65) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL31370163 0.76 KMT2A (0.62) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL9988316 0.76 SCN9A (0.85) KMT2AMEN1HSP90AA1HSP90AB1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009522265-A 2009-06-11 JP claimed
US-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TERSERA THERAPEUTICS LLC 2009-02-26 US claimed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN claimed
EP-1984344-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-10-29 EP claimed
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use TERSERA THERAPEUTICS LLC 2007-08-16 US claimed
WO-2007089335-A2 MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE LEXICON PHARMACEUTICAL INC. (US) 2007-08-09 WO claimed
EP-2386547-B1 Multicyclic amino acid derivatives and methods of their use LEXICON PHARMACEUTICALS INC (US) 2018-06-20 EP disclosed
US-9717727-B2 Methods of treating and preventing leukemia and other cancers of the blood and bone THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-01 US disclosed
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-09 US disclosed
WO-2014082034-A1 METHODS FOR TREATING IRRITABLE BOWEL SYNDROME LEXICON PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS LEXICON PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION LEXICON PHARMACEUTICALS, INC. 2013-10-17 US disclosed
WO-2013148978-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS LEXICON PHARMACEUTICALS, INC. (US) 2013-10-03 WO disclosed
EP-2282756-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES The Trustees of Columbia University in the City of New York (US) 2011-02-16 EP disclosed
CN-101969952-A Compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS INC 2011-02-09 CN disclosed
CN-101815534-A methods and compositions for treating pulmonary hypertension and related diseases and disorders LEXICON PHARMACEUTICALS INC 2010-08-25 CN disclosed
CN-101801385-A Methods of affecting gastrointestinal transit and gastric emptying, and compounds useful therein LEXICON PHARMACEUTICALS INC 2010-08-11 CN disclosed
CN-101784269-A methods of treating serotonin-mediated diseases and disorders LEXICON PHARMACEUTICALS INC 2010-07-21 CN disclosed
WO-2009123978-A1 METHODS OF DIAGNOSING, PREVENTING AND TREATING BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-10-08 WO disclosed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN 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 (5 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-20090054308-A1 Methods and Compositions for Treating Pulmonary Hypertension and Related Diseases and Disorders TPH1, PAH, TPH2 KMT2A 2842/4885MEN1 2455/4885HSP90AA1 840/4885
US-20130274261-A1 METHODS FOR TREATING PULMONARY HYPERTENSION TPH1, TPH2, PTGIS KMT2A 2648/4885MEN1 3012/4885HSP90AA1 982/4885
US-20070191370-A1 Multicyclic amino acid derivatives and methods of their use AADAT, HNMT, TPH1 KMT2A 2950/4885MEN1 1261/4885HSP90AA1 806/4885
US-20140303197-A1 METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE TPH1, TPH2, HNMT KMT2A 474/4885MEN1 161/4885HSP90AA1 2399/4885
US-20130303763-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NECROTIZING ENTEROCOLITIS TPH1, TPH2, VIP KMT2A 2899/4885MEN1 4620/4885HSP90AA1 644/4885

“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.