SCHEMBL6566548

SCHEMBL6566548

O=C(Nc1ccccc1)Nc1ccc(OC(c2ccccc2)c2ccccc2)c(C(=O)NCc2ccccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALOX15 P16050 1/20 0.53
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 3/20 0.50
KCNH2 Q12809 1/20 0.50
KCNB1 Q14721 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6567749 0.85 HTT (0.54) RAB9AMAPTHTTKMT2A
SCHEMBL6566811 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALOX15GLA
SCHEMBL6567998 0.83 L3MBTL1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL6567969 0.81 CASR (0.53) KMT2A
SCHEMBL6567876 0.81 RAF1 (0.44) SMN1; SMN2MAPTHTTKMT2A
SCHEMBL6567243 0.80 ALDH1A1 (0.53) RAB9ASMN1; SMN2ALOX15MAPTHTT
SCHEMBL6565928 0.80 MCHR1 (0.46) SMN1; SMN2KMT2A
SCHEMBL6568066 0.80 EPHX1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL6566515 0.80 NAMPT (0.52) RAB9ASMN1; SMN2MAPTHTTKMT2A
SCHEMBL6566625 0.79 PPARA (0.52) SMN1; SMN2MAPTKMT2AGAAALDH1A1

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 NPC1 3521/4885RAB9A 1322/4885SMN1; SMN2 2126/4885

“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.