SCHEMBL6567749

SCHEMBL6567749

O=C(Nc1ccccc1)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)NCc2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
NAMPT P43490 14/20 0.53
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 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
SCHEMBL6566515 0.90 NAMPT (0.52) HTTNAMPTROCK2ROCK1MAPT
SCHEMBL6567998 0.89 L3MBTL1 (0.53) NAMPTMEN1RAB9AKMT2A
SCHEMBL6566625 0.87 PPARA (0.52) NAMPTMAPTMEN1KMT2A
SCHEMBL6566548 0.85 NPC1 (0.55) HTTMAPTRAB9AKMT2A
SCHEMBL6566529 0.85 ALDH1A1 (0.56) HTTNAMPTROCK2ROCK1
SCHEMBL6568066 0.82 EPHX1 (0.49) NAMPTROCK2ROCK1MAPTPOLB
SCHEMBL6566630 0.82 PRMT3 (0.46) NAMPTMEN1RAB9AKMT2A
SCHEMBL6567969 0.81 CASR (0.53) MEN1KMT2A
SCHEMBL6567876 0.81 RAF1 (0.44) HTTMAPTMEN1KMT2A
SCHEMBL6567243 0.81 ALDH1A1 (0.53) HTTMAPTPOLBMEN1RAB9A

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 HTT 2150/4885NAMPT 3240/4885ROCK2 4403/4885

“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.