SCHEMBL1680873

SCHEMBL1680873

Nc1nccc(Cl)c1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPK8 P45983 3/20 0.41
MAPK14 Q16539 3/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
HTT P42858 2/20 0.36
CYP3A4 P08684 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GSK3B P49841 1/20 0.36
HPGD P15428 3/20 0.35
LOX P28300 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
SCD O00767 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 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
SCHEMBL1680813 0.85 BTK (0.37) MAPK8MAPK14LMNATDP1HTT
SCHEMBL1681051 0.83 ATR (0.46) MAPK8MAPK14LMNATDP1HTT
SCHEMBL1680415 0.82 MAPK8 (0.52) MAPK8MAPK14ALDH1A1
SCHEMBL1681318 0.81 MAPK14 (0.35) MAPK8MAPK14LMNATDP1HTT
SCHEMBL1680962 0.80 MAPK14 (0.39) MAPK14LMNAALDH1A1TDP1ADORA2A
SCHEMBL5697501 0.79 MAPK14 (0.40) POLBMAPK14CYP3A4
SCHEMBL1681150 0.79 KDM5A (0.41) ADORA2AADORA2BGSK3BLOXLOXL2
SCHEMBL1680774 0.78 PTGER4 (0.42) MAPK8MAPK14ALDH1A1TDP1L3MBTL1
SCHEMBL5697482 0.78 LOX (0.37) ALDH1A1ADORA2ALOXLOXL2
SCHEMBL1680407 0.78 MAPK8 (0.40) MAPK8MAPK14LMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 POLB 4412/4885MAPK8 2317/4885MAPK14 3031/4885

“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.