SCHEMBL1269157

SCHEMBL1269157

CC(=O)Nc1ccc2sc3c(O)c(C([NH])=O)nc(Cl)c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
LDHA P00338 2/20 0.40
HSD17B10 Q99714 3/20 0.39
RAB9A P51151 5/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.36
GLA P06280 1/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
SULT1A1 P50225 1/20 0.36
G6PD P11413 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
SCHEMBL1269955 0.84 EGLN1 (0.69) EGLN1
SCHEMBL1270577 0.80 EGLN1 (0.53) EGLN1
SCHEMBL1270094 0.78 EGLN1 (0.45) EGLN1HSD17B10KDM4EKMT2AMAPT
SCHEMBL4869324 0.70 KDM4E (0.54) LDHARAB9AKDM4EKMT2AMAPT
SCHEMBL1269880 0.69 EGLN1 (0.76) EGLN1
SCHEMBL1270027 0.68 EGLN1 (0.71) EGLN1
SCHEMBL1270563 0.66 EGLN1 (0.67) EGLN1MAPT
SCHEMBL1811763 0.66 EGLN1 (0.43) EGLN1HSD17B10KDM4EKMT2ASMN1; SMN2
SCHEMBL2636076 0.65 KDM4E (0.55) LDHAHSD17B10RAB9AKDM4EKMT2A
SCHEMBL12922996 0.64 PFKFB3 (0.53) LDHAHSD17B10KDM4EKMT2AMAPT

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
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 5/4885LDHA 506/4885HSD17B10 659/4885

“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.