SCHEMBL6566856

SCHEMBL6566856

CCC(=O)c1cc(NC(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 5/20 0.48
POLB P06746 4/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TP53 P04637 3/20 0.46
TSHR P16473 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
GAA P10253 2/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL6568306 0.93 SMN1; SMN2 (0.53) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6568181 0.91 MAPT (0.68) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6567936 0.90 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6565982 0.90 KMT2A (0.50) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6564438 0.90 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6564446 0.90 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6565019 0.83 MAPT (0.57) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6566825 0.83 MEN1 (0.51) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6565921 0.82 LRRK2 (0.57) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6566807 0.81 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2NPC1

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 MEN1 4143/4885KMT2A 3137/4885MAPT 4743/4885

“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.