SCHEMBL6564615

SCHEMBL6564615

COc1ccc(NC(=O)Nc2ccc(OC(c3ccccc3)c3ccccc3)c(C(=O)NC(C)(C)C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
CASR P41180 1/20 0.46
NPC1 O15118 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
HIF1A Q16665 1/20 0.43
HTT P42858 2/20 0.43
IGF1R P08069 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT1 P42224 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6567867 0.93 KMT2A (0.44) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6567917 0.91 IMPDH2 (0.51) TP53MEN1KMT2ARAB9AMAPT
SCHEMBL6565806 0.87 TP53 (0.52) TP53TSHRCASRNPC1MEN1
SCHEMBL6566840 0.86 TP53 (0.51) TP53TSHRCASRNPC1MEN1
SCHEMBL6568011 0.86 KDM4E (0.54) TP53TSHRCASRNPC1MEN1
SCHEMBL6564637 0.84 IMPDH2 (0.44) TP53MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6565850 0.83 MEN1 (0.42) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6564383 0.83 CASR (0.50) TP53TSHRCASRNPC1MEN1
SCHEMBL6564651 0.82 NPSR1 (0.46) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6568152 0.82 RAB9A (0.48) TP53TSHRCASRNPC1MEN1

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 TP53 4453/4885TSHR 1061/4885CASR 1621/4885

“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.