SCHEMBL9101829

SCHEMBL9101829

CCOC(=O)c1c(C)[nH]c2c(-c3ccc(OC)cc3OCC3CC3)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL9107121 0.93 LMNA (0.40) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9106956 0.89 KDM5A (0.42) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL9896002 0.88 KDM4E (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9105395 0.86 CCNT1 (0.41) LMNAL3MBTL1F2
SCHEMBL9105094 0.84 KDM2B (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9104922 0.84 GRIN1 (0.38) KDM4ERAB9ACASP3PDE4DGABRG2
SCHEMBL9104889 0.84 GRIN1 (0.38) KDM4ERAB9ACASP3PDE4DGABRG2
SCHEMBL9104910 0.84 GRIN1 (0.38) KDM4ERAB9ACASP3PDE4DGABRG2
SCHEMBL9102575 0.83 GRIN1 (0.40) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL9102564 0.83 GRIN1 (0.40) KMT2AMEN1KDM4ERAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
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 MAPT 4614/4885KMT2A 1463/4885MEN1 2045/4885

“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.