SCHEMBL378971

SCHEMBL378971

O=C(O)n1ccc2c(CO)cccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
BRD4 O60885 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35

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
SCHEMBL3169084 0.85 NOTUM (0.45) NOTUMLOXL2PDCD1CD274KDM4E
SCHEMBL3165900 0.84 POLB (0.43) NOTUMLOXL2PDCD1CD274HTR1A
SCHEMBL31450329 0.81 GABRA1 (0.43) NOTUMKDM4EMAPTALDH1A1
SCHEMBL3176750 0.80 HTR6 (0.39) NOTUMPDCD1CD274KDM4EHTR1A
SCHEMBL27716127 0.80 OXER1 (0.47) NOTUMHTR6AGTR1OXER1
SCHEMBL4231904 0.78 TACR3 (0.46) LMNATDP1L3MBTL1GAAHPGD
SCHEMBL1760728 0.77 L3MBTL1 (0.54) NOTUMLOXL2BRD4L3MBTL1HTR6
SCHEMBL30511851 0.77 L3MBTL1 (0.54) NOTUMLOXL2BRD4L3MBTL1HTR6
SCHEMBL18990037 0.77 NOTUM (0.47) NOTUMRORCOXER1
SCHEMBL29473859 0.77 HTR6 (0.50) NOTUMPDCD1CD274KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
EP-2134691-B1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 EP disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-2134691-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 WO disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 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 (3 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 NOTUM 2966/4885LOXL2 764/4885PDCD1 446/4885
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 NOTUM 4303/4885LOXL2 4258/4885PDCD1 1257/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 NOTUM 4303/4885LOXL2 4258/4885PDCD1 1257/4885

“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.