SCHEMBL12896199

SCHEMBL12896199

COC(=O)CNC(=O)c1nc(Cl)c2c(sc3ccc([N+](=O)[O-])cc32)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.56
POLB P06746 3/20 0.38
FTO Q9C0B1 3/20 0.38
KDM6B O15054 2/20 0.38
HIF1AN Q9NWT6 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
MCL1 Q07820 1/20 0.37
BBOX1 O75936 1/20 0.37
GAA P10253 1/20 0.37
VEGFA P15692 2/20 0.36
FLT1 P17948 2/20 0.36
EGLN3 Q9H6Z9 2/20 0.36
THRA P10827 1/20 0.36

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
SCHEMBL12896207 0.93 EGLN1 (0.54) EGLN1POLBFTOKDM6BHIF1AN
SCHEMBL1270042 0.91 EGLN1 (0.68) EGLN1POLBFTOKDM6BHIF1AN
SCHEMBL12896198 0.83 EGLN1 (0.80) EGLN1FTOALDH1A1BBOX1VEGFA
SCHEMBL12896201 0.78 EGLN1 (0.57) EGLN1FTOLMNAALDH1A1MAPT
SCHEMBL1269880 0.76 EGLN1 (0.76) EGLN1FTOBBOX1EGLN3THRA
SCHEMBL12896206 0.76 EGLN1 (0.56) EGLN1FTOLMNASMN1; SMN2ALDH1A1
SCHEMBL12896210 0.75 EGLN1 (0.77) EGLN1FTOLMNAALDH1A1MAPT
SCHEMBL1268889 0.75 EGLN1 (0.67) EGLN1FTOBBOX1THRATHRB
SCHEMBL1270012 0.75 EGLN1 (0.73) EGLN1FTOBBOX1EGLN3THRA
SCHEMBL1270239 0.75 EGLN1 (0.73) EGLN1FTOKDM6BHIF1ANKDM5B

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 3 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 disclosed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US 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 5/4885POLB 2092/4885FTO 1284/4885

“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.