SCHEMBL1492331

SCHEMBL1492331

CCOC(=O)c1ccc(-n2ccc(NC(C)=O)c2C(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
HTT P42858 3/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL1492346 0.94 KMT2A (0.45) HPGDHTTKMT2AALDH1A1HSP90AA1
SCHEMBL18956079 0.90 GABRA2 (0.47) KMT2AALDH1A1NPSR1MAPK1RAB9A
SCHEMBL1492270 0.90 KMT2A (0.42) HPGDHTTKMT2AALDH1A1HSP90AA1
SCHEMBL19644245 0.90 ALDH1A1 (0.52) HPGDKMT2AALDH1A1LMNACYP1A2
SCHEMBL1492335 0.89 ALDH1A1 (0.52) HPGDKMT2AALDH1A1NPSR1MAPK1
Acetic Acid SCHEMBL2590588 0.86 KMT2A (0.41) HPGDHTTKMT2AALDH1A1HSP90AA1
SCHEMBL10293981 0.85 HTT (0.46) HPGDHTTKMT2AALDH1A1HSP90AA1
SCHEMBL1492370 0.83 ALDH1A1 (0.45) HPGDHTTKMT2AALDH1A1HSP90AA1
SCHEMBL10008033 0.83 ALDH1A1 (0.39) HTTKMT2AALDH1A1NPSR1MAPK1
SCHEMBL19644225 0.82 TP53 (0.48) HPGDKMT2AALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475660-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GlaxoSmithKline LLC (US) 2012-07-18 EP disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 WO disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 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-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK PRKAB1, PRKAG1, PRKAB2 HPGD 499/4885HTT 2074/4885KMT2A 2761/4885

“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.