SCHEMBL1269072

SCHEMBL1269072

C[C@H](NC(=O)c1nc(Br)c2c(sc3ccccc32)c1O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.54
FTO Q9C0B1 3/20 0.54
BBOX1 O75936 2/20 0.54
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL27790182 1.00 EGLN1 (0.54) EGLN1FTOBBOX1KDM4EALDH1A1
SCHEMBL27790187 0.87 EGLN1 (0.68) EGLN1FTOBBOX1
SCHEMBL1270049 0.87 EGLN1 (0.68) EGLN1FTOBBOX1
SCHEMBL1270123 0.82 EGLN1 (0.55) EGLN1KDM4EALDH1A1RAB9AMEN1
SCHEMBL3623430 0.81 EGLN1 (0.52) EGLN1KDM4EALDH1A1PRNPHPGD
SCHEMBL1270465 0.80 EGLN1 (0.78) EGLN1FTOBBOX1PTPN1
SCHEMBL1270309 0.80 EGLN1 (0.61) EGLN1ALDH1A1HPGD
SCHEMBL522942 0.80 EGLN1 (0.72) EGLN1FTOBBOX1
SCHEMBL522941 0.80 EGLN1 (0.72) EGLN1FTOBBOX1
SCHEMBL1270197 0.77 NPC1 (0.49) EGLN1KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US claimed
CN-101815718-A Pyridine derivate and using method thereof CRYSTALGENOMICS INC 2010-08-25 CN claimed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP claimed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO claimed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
CN-101815718-A Pyridine derivate and using method thereof CRYSTALGENOMICS INC 2010-08-25 CN disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 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 (1 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A EGLN1 5/4885FTO 1284/4885BBOX1 751/4885

“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.