SCHEMBL1492346

SCHEMBL1492346

CCOC(=O)c1c(NC(C)=O)ccn1-c1ccc(C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
HPGD P15428 4/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HSP90AA1 P07900 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL1492331 0.94 HPGD (0.50) KMT2AHPGDHTTMAPTALDH1A1
SCHEMBL1492270 0.89 KMT2A (0.42) KMT2AHPGDHTTMAPTALDH1A1
SCHEMBL18956079 0.89 GABRA2 (0.47) KMT2AMAPTALDH1A1NPSR1MAPK1
SCHEMBL19644245 0.88 ALDH1A1 (0.52) KMT2AHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL1492335 0.88 ALDH1A1 (0.52) KMT2AHPGDMAPTALDH1A1NPSR1
Acetic Acid SCHEMBL2590588 0.84 KMT2A (0.41) KMT2AHPGDHTTMAPTALDH1A1
SCHEMBL10008033 0.82 ALDH1A1 (0.39) KMT2AHTTMAPTALDH1A1NPSR1
SCHEMBL19644225 0.81 TP53 (0.48) KMT2AHPGDMAPTALDH1A1NPSR1
SCHEMBL10293981 0.79 HTT (0.46) KMT2AHPGDHTTMAPTALDH1A1
SCHEMBL1492370 0.77 ALDH1A1 (0.45) KMT2AHPGDHTTALDH1A1HSP90AA1

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 6 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
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 KMT2A 2761/4885HPGD 499/4885HTT 2074/4885

“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.