SCHEMBL6568066

SCHEMBL6568066

O=C(Nc1ccccc1)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CNR1 P21554 1/20 0.46
GBA1 P04062 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FPR2 P25090 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 1/20 0.43
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL6566645 0.94 KDM4E (0.53) EPHX1NPC1RAB9AMEN1KMT2A
SCHEMBL6566515 0.93 NAMPT (0.52) EPHX1RAB9AMEN1KMT2AMAPT
SCHEMBL6566630 0.91 PRMT3 (0.46) NPC1RAB9AMEN1KMT2AHDAC2
SCHEMBL6567888 0.89 CNR1 (0.54) MEN1KMT2AMAPTSMN1; SMN2CNR1
SCHEMBL6567876 0.88 RAF1 (0.44) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6567969 0.88 CASR (0.53) MEN1KMT2A
SCHEMBL6565928 0.87 MCHR1 (0.46) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6564631 0.86 EPHX1 (0.47) EPHX1ALDH1A1
SCHEMBL6567939 0.85 MCHR1 (0.53) ALDH1A1KDM4E
SCHEMBL6566680 0.84 CASR (0.56) EPHX1NPC1RAB9AMEN1KMT2A

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 EPHX1 2037/4885NPC1 3521/4885RAB9A 1322/4885

“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.