SCHEMBL6564596

SCHEMBL6564596

COc1cccc(NC(=O)Nc2ccc(OC(c3ccccc3)c3ccccc3)c(C(C)=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
CASR P41180 1/20 0.54
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MITF O75030 1/20 0.52
NLRP3 Q96P20 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
STAT1 P42224 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48

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
SCHEMBL6564574 0.91 TSHR (0.55) TSHRTP53CASRRAB9ANPC1
SCHEMBL6566840 0.91 TP53 (0.51) TSHRTP53CASRRAB9ANPC1
SCHEMBL6567509 0.89 CASR (0.53) TSHRTP53CASRRAB9ANPC1
SCHEMBL6567575 0.88 KMT2A (0.54) TP53RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6568164 0.84 MEN1 (0.50) TSHRTP53CASRRAB9ANPC1
SCHEMBL6567928 0.83 MEN1 (0.49) TSHRTP53CASRRAB9ANPC1
SCHEMBL6565806 0.83 TP53 (0.52) TSHRTP53CASRRAB9ANPC1
SCHEMBL6567997 0.83 MAPT (0.56) TSHRTP53RAB9ANPC1MAPT
SCHEMBL6564618 0.83 TP53 (0.53) TSHRTP53RAB9ANPC1MAPT
SCHEMBL6566773 0.83 LMNA (0.56) CASRRAB9ANPC1MAPTSMN1; SMN2

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 TSHR 1061/4885TP53 4453/4885CASR 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.