SCHEMBL5697540

SCHEMBL5697540

O=C(NCc1cccc(Oc2ccccc2)c1)c1cnc2ncccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 3/20 0.54
COPS5 Q92905 3/20 0.54
FFAR1 O14842 1/20 0.53
MAPK14 Q16539 4/20 0.52
ROCK2 O75116 1/20 0.52
STAMBP O95630 3/20 0.51
MAPK8 P45983 1/20 0.50
HPGDS O60760 1/20 0.50
PRKACA P17612 1/20 0.49
GRK5 P34947 1/20 0.49
PRKX P51817 1/20 0.49
PRKCQ Q04759 1/20 0.49
ROCK1 Q13464 1/20 0.49
MMP13 P45452 2/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
KLKB1 P03952 1/20 0.48

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
SCHEMBL1681262 0.84 FFAR1 (0.57) FFAR1MAPK14ROCK2MAPK8MMP13
SCHEMBL13491479 0.83 MAPK14 (0.53) PSMD14COPS5FFAR1MAPK14ROCK2
SCHEMBL28042144 0.82 MAPK8 (0.51) FFAR1MAPK14MAPK8MMP13LMNA
SCHEMBL253706 0.80 MLYCD (0.58) PSMD14COPS5MAPK14ROCK2STAMBP
SCHEMBL1680708 0.78 ROCK2 (0.63) FFAR1MAPK14ROCK2PRKACAGRK5
SCHEMBL1680889 0.78 L3MBTL1 (0.73) FFAR1MAPK14ROCK2HPGDSPRKACA
SCHEMBL1680768 0.78 FFAR1 (0.60) FFAR1MAPK14ROCK2HPGDSPRKACA
SCHEMBL253871 0.77 HPGDS (0.60) PSMD14COPS5STAMBPHPGDS
SCHEMBL13491676 0.76 MMP13 (0.64) FFAR1MAPK14ROCK2ROCK1MMP13
SCHEMBL1681075 0.76 MMP13 (0.61) ROCK2HPGDSPRKACAGRK5PRKX

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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (2 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 PSMD14 4056/4885COPS5 680/4885FFAR1 3313/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PSMD14 4080/4885COPS5 669/4885FFAR1 3308/4885

“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.