SCHEMBL4910686

SCHEMBL4910686

COC(=O)c1nccc2[nH]cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 3/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAP2K1 Q02750 1/20 0.38
QPCT Q16769 1/20 0.37
NR4A2 P43354 1/20 0.37
CREBBP Q92793 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCRTR1 O43613 2/20 0.36
KDM6B O15054 1/20 0.36

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
SCHEMBL24399733 0.80 KDM5B (0.50) L3MBTL1PARP1LRRK2MAP2K1KDM5C
SCHEMBL30402102 0.80 KDM5B (0.50) L3MBTL1PARP1LRRK2MAP2K1KDM5C
SCHEMBL9573514 0.80 EGLN1 (0.56) EGLN1PARP1KDM4EALDH1A1KMT2A
SCHEMBL4791037 0.80 EGLN1 (0.63) EGLN1L3MBTL1PARP1KDM4EALDH1A1
SCHEMBL22533810 0.78 EGLN1 (0.57) EGLN1PARP1ALDH1A1KMT2APKM
SCHEMBL7287881 0.76 EGLN1 (0.52) EGLN1PARP1ALDH1A1KMT2APKM
SCHEMBL7287891 0.76 EGLN1 (0.52) EGLN1PARP1ALDH1A1KMT2APKM
SCHEMBL536589 0.74 PARP1 (0.64) PARP1NR4A2CREBBP
SCHEMBL1655505 0.74 KDM4E (0.46) EGLN1L3MBTL1KDM4ESTAT3HIF1A
SCHEMBL21986865 0.73 LMNA (0.40) EGLN1PARP1ALDH1A1KMT2ANR4A2

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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 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-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB EGLN1 311/4885L3MBTL1 3098/4885PARP1 118/4885

“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.