SCHEMBL6567772

SCHEMBL6567772

COC(=O)c1cc(NC(=O)Nc2ccc(C#N)c3ccccc23)ccc1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
IMPDH2 P12268 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
IDO1 P14902 1/20 0.40
IMPDH1 P20839 2/20 0.40
CASR P41180 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KDM4E B2RXH2 2/20 0.38
IGF1R P08069 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6566601 0.87 LMNA (0.53) MEN1LMNAKMT2ASMN1; SMN2IMPDH2
SCHEMBL6564504 0.84 KDM4E (0.51) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6566851 0.83 MEN1 (0.50) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6567728 0.83 MEN1 (0.48) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6564786 0.82 KMT2A (0.61) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6567047 0.82 MAPT (0.52) MEN1LMNAKMT2ASMN1; SMN2IMPDH2
SCHEMBL6568019 0.79 MAPT (0.51) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6564700 0.79 NPC1 (0.59) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6566569 0.79 RAB9A (0.51) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6567738 0.79 MEN1 (0.47) MEN1LMNAKMT2ASMN1; SMN2IMPDH2

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 4143/4885LMNA 4043/4885KMT2A 3137/4885

“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.