SCHEMBL974330

SCHEMBL974330

O=C(O)CNC(=O)c1c(O)c2c([nH]c1=O)CNC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
EGLN1 Q9GZT9 5/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APEX1 P27695 1/20 0.37
ALOX15 P16050 1/20 0.37
USP2 O75604 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
SCHEMBL17629490 0.81 EGLN1 (0.50) PKMKDM4EALDH1A1POLBTSHR
SCHEMBL17629620 0.78 KDM4E (0.52) PKMKDM4EALDH1A1POLBTSHR
SCHEMBL17629646 0.78 KDM4E (0.49) PKMKDM4EALDH1A1POLBTSHR
SCHEMBL19251706 0.76 EGLN1 (0.52) PKMKDM4EALDH1A1POLBTSHR
SCHEMBL12777777 0.70 EGLN1 (0.48) PKMKDM4EALDH1A1NPC1RAB9A
SCHEMBL3421207 0.69 SLC22A12 (0.54) KDM4EALDH1A1POLBHPGDMEN1
SCHEMBL821620 0.68 KMT2A (0.76) PKMKDM4EALDH1A1POLBNPC1
SCHEMBL4155293 0.67 EGLN1 (0.57) PKMKDM4EALDH1A1NPC1RAB9A
SCHEMBL4154430 0.66 EGLN1 (0.47) PKMKDM4ENPC1RAB9AEGLN1
SCHEMBL5311454 0.66 MEN1 (0.54) PKMKDM4EALDH1A1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257171-B1 TETRAHYDRO-1H-PYRROLO-FUSED PYRIDONES MERCK SHARP & DOHME (US) 2016-02-10 EP disclosed
US-8372863-B2 Tetrahydro-1H-pyrrolo fused pyridones MERCK SHARP & DOHME CORP. (US) 2013-02-12 US disclosed
US-20110009406-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES MERCK SHARP & DOHME LLC 2011-01-13 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-20110009406-A1 TETRAHYDRO-1H-PYRROLO FUSED PYRIDONES HIF1AN, EGLN2, EGLN3 PKM 511/4885KDM4E 197/4885ALDH1A1 383/4885

“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.