SCHEMBL2114253

SCHEMBL2114253

O=C(O)c1c[nH]c2c(c1=O)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.43
KMT2A Q03164 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
TSHR P16473 1/20 0.39
CSNK2A1 P68400 4/20 0.38
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
KDM3B Q7LBC6 1/20 0.37
PIM3 Q86V86 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL6164988 0.96 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDGFER
SCHEMBL22289913 0.87 GFER (0.46) KDM4EALDH1A1HSD17B10HPGDGFER
SCHEMBL7454498 0.78 CFTR (0.56) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL2392492 0.77 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL3429404 0.76 PTK2 (0.44) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL6952749 0.75 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDGFER
SCHEMBL6162507 0.75 ADORA2A (0.55) ALDH1A1HPGDKMT2ATSHRPOLB
SCHEMBL7679755 0.75 CFTR (0.56) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL4789593 0.74 HSD17B10 (0.47) KDM4EALDH1A1HSD17B10HPGDGFER
SCHEMBL6162671 0.74 HPGD (0.55) ALDH1A1HPGDKMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed
EP-1056724-B1 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-05-25 EP disclosed
US-6448259-B1 CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY NEUROGEN CORPORATION 2002-09-10 US disclosed
US-6194427-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS NEUROGEN CORPORATION 2001-02-27 US disclosed
EP-1056724-A2 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-12-06 EP disclosed
WO-1999043661-A2 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-09-02 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 KDM4E 979/4885ALDH1A1 1675/4885HSD17B10 1364/4885

“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.