SCHEMBL6566515

SCHEMBL6566515

O=C(Nc1ccccc1)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)NCCc2ccncc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.52
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.46
PRMT3 O60678 1/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6568066 0.93 EPHX1 (0.49) NAMPTROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL6567749 0.90 HTT (0.54) NAMPTROCK2ROCK1RAB9AMEN1
SCHEMBL6566630 0.90 PRMT3 (0.46) NAMPTSMN1; SMN2PRMT3RAB9AMEN1
SCHEMBL6566645 0.87 KDM4E (0.53) ROCK2ROCK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6564652 0.86 CASR (0.52) NAMPTROCK2ROCK1SMN1; SMN2ALDH1A1
SCHEMBL6567888 0.85 CNR1 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL6567969 0.84 CASR (0.53) MEN1KMT2ANPSR1
SCHEMBL6567876 0.84 RAF1 (0.44) SMN1; SMN2MEN1KMT2AHTTLMNA
SCHEMBL6565928 0.83 MCHR1 (0.46) SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6564631 0.82 EPHX1 (0.47) ALDH1A1HTTEPHX1

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 NAMPT 3240/4885ROCK2 4403/4885ROCK1 3949/4885

“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.