SCHEMBL1680775

SCHEMBL1680775

O=C(NCc1ccc(Oc2ccccc2)s1)c1cnc2sccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 4/20 0.42
COPS5 Q92905 3/20 0.42
STAMBP O95630 3/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK14 Q16539 2/20 0.41
HPGDS O60760 2/20 0.41
HPGD P15428 3/20 0.39
LMNA P02545 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
MMP13 P45452 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LOX P28300 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
SCHEMBL1680549 0.84 ALDH1A1 (0.41) PSMD14COPS5STAMBPALDH1A1MAPK14
SCHEMBL1681068 0.83 HPGD (0.42) PSMD14COPS5STAMBPALDH1A1MAPK14
SCHEMBL1680994 0.82 NAMPT (0.55) ALDH1A1MAPK14HPGDSHPGDLMNA
SCHEMBL1680988 0.81 GALR3 (0.40) ALDH1A1MAPK14HPGDLMNATP53
SCHEMBL1680509 0.78 EPHX2 (0.49) ALDH1A1MAPK14HPGDSHPGDLMNA
SCHEMBL1680902 0.78 SLC8A1 (0.49) ALDH1A1MAPK14HPGDLMNATDP1
SCHEMBL1681352 0.77 MAPK14 (0.49) ALDH1A1MAPK14MAPTHTTLOX
SCHEMBL12808405 0.77 MAPK14 (0.40) PSMD14COPS5STAMBPALDH1A1MAPK14
SCHEMBL1681139 0.76 MAPK14 (0.46) ALDH1A1MAPK14HPGDSHPGDLMNA
SCHEMBL1680847 0.76 NNMT (0.43) ALDH1A1MAPK14LMNACYP3A4HTT

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 8 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-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-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

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 680/4885STAMBP 4521/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PSMD14 4080/4885COPS5 669/4885STAMBP 4515/4885

“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.