SCHEMBL9515069

SCHEMBL9515069

CCOC(=O)c1cc(Cc2ccccc2)cnc1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 4/20 0.49
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 4/20 0.46
ATM Q13315 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL13851064 0.93 KDM4E (0.48) KDM4ERAB9ANPSR1TSHRGABRA1
SCHEMBL13851063 0.93 KDM4E (0.46) KDM4ERAB9ANPSR1TSHRGABRA1
SCHEMBL14065327 0.88 KDM4E (0.47) KDM4ERAB9ANPSR1GABRA1GABRB1
SCHEMBL4716961 0.87 PDE3B (0.46) KDM4ERAB9ANPSR1TSHRPDE3B
SCHEMBL13851060 0.85 RAB9A (0.54) KDM4ERAB9ANPSR1TSHRGABRA1
SCHEMBL5540834 0.85 ALDH1A1 (0.46) KDM4ERAB9ANPSR1TSHRGABRA1
SCHEMBL16999960 0.85 RAB9A (0.42) KDM4ERAB9ANPSR1GABRA1GABRB1
SCHEMBL6559833 0.84 TSHR (0.46) KDM4ETSHRGABRA1GABRA3ALDH1A1
SCHEMBL29897883 0.84 TSHR (0.46) KDM4ETSHRGABRA1GABRA3ALDH1A1
SCHEMBL5004727 0.82 KDM4E (0.44) KDM4ERAB9ANPSR1TSHRPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP 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 (6 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 KDM4E 1268/4885RAB9A 2184/4885NPSR1 4539/4885
US-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 KDM4E 1139/4885RAB9A 2691/4885NPSR1 4756/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885RAB9A 2632/4885NPSR1 4734/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 KDM4E 2653/4885RAB9A 2308/4885NPSR1 4818/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 KDM4E 1183/4885RAB9A 2730/4885NPSR1 4749/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 KDM4E 1183/4885RAB9A 2730/4885NPSR1 4749/4885

“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.