SCHEMBL6566529

SCHEMBL6566529

COC(=O)c1cc(NC(=O)NCc2ccncc2)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
NAMPT P43490 12/20 0.53
HTT P42858 1/20 0.53
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CASR P41180 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
IMPDH2 P12268 1/20 0.47

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
SCHEMBL6566826 0.93 GAA (0.54) ALDH1A1NAMPTITGB3ITGAVROCK2
SCHEMBL6564652 0.90 CASR (0.52) ALDH1A1NAMPTROCK2ROCK1CASR
SCHEMBL6565755 0.90 L3MBTL1 (0.63) ALDH1A1NAMPTITGB3ITGAVL3MBTL1
SCHEMBL6566980 0.88 KMT2A (0.52) ALDH1A1HTTCASR
SCHEMBL6566505 0.88 LMNA (0.51) ALDH1A1NAMPTCASR
SCHEMBL6567749 0.85 HTT (0.54) NAMPTHTTROCK2ROCK1
SCHEMBL6567996 0.84 GAA (0.53) ALDH1A1ROCK2CASRL3MBTL1
SCHEMBL6566680 0.83 CASR (0.56) ROCK2ROCK1CASR
SCHEMBL6566483 0.82 L3MBTL1 (0.51) ALDH1A1NAMPTITGB3ITGAVROCK2
SCHEMBL6564786 0.82 KMT2A (0.61) ALDH1A1HTTCASR

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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 (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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 ALDH1A1 907/4885NAMPT 3240/4885HTT 2150/4885

“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.