SCHEMBL1492230

SCHEMBL1492230

CCOC(=O)c1ccc(-n2ccc(N)c2C(=O)OCC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAOA P21397 1/20 0.57
HTT P42858 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
ESR1 P03372 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL18955943 0.89 GABRA2 (0.51) LMNAHPGDALDH1A1NPSR1SMN1; SMN2
SCHEMBL1492363 0.89 CASP3 (0.47) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL19643804 0.88 ALDH1A1 (0.57) LMNACYP1A2CYP3A4MAOAHPGD
Hydrochloric Acid SCHEMBL1492383 0.87 CASP3 (0.46) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL1492332 0.87 SMN1; SMN2 (0.52) LMNACYP1A2CYP3A4HTTHPGD
Hydrochloric Acid SCHEMBL1492314 0.86 SMN1; SMN2 (0.51) LMNACYP1A2CYP3A4HTTHPGD
SCHEMBL1492360 0.80 UCHL1 (0.42) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL1492408 0.80 ALDH1A1 (0.46) CYP1A2HPGDALDH1A1TDP1TSHR
SCHEMBL19661208 0.80 NPC1 (0.48) HPGDALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL1492331 0.78 HPGD (0.50) LMNACYP1A2CYP3A4MAOAHTT

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 LMNA 4305/4885CYP1A2 1552/4885CYP3A4 1474/4885

“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.