SCHEMBL9107544

SCHEMBL9107544

CCOC(=O)c1c(C)[nH]c2c(O)ccnc12.CCn1c(C)c(C(=O)O)c2nccc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.41
ALOX5 P09917 3/20 0.38
MAPT P10636 7/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL10196710 0.82 ALDH1A1 (0.52) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL9105877 0.81 MEN1 (0.42) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9105873 0.78 MAPT (0.45) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL12817480 0.73 KDM4E (0.37) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL12817477 0.70 KDM5A (0.44) ALDH1A1KDM4ESMN1; SMN2MAPK1HSD17B10
SCHEMBL29913008 0.67 ALDH1A1 (0.50) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL27157767 0.67 ALDH1A1 (0.50) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL7063136 0.66 KDM4E (0.33) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL9896238 0.66 HPGD (0.44) GAAALOX5MAPTALDH1A1MEN1
SCHEMBL29913109 0.66 ALDH1A1 (0.52) GAAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A GAA 2001/4885ALOX5 1411/4885MAPT 4614/4885

“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.