SCHEMBL1461744

SCHEMBL1461744

CC(C)(O)COc1ccc(CN)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ CYP4F2 P78329 3/20 0.35
▸ CYP4A11 Q02928 3/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ LOX P28300 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ RRM2 P31350 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ RET P07949 3/20 0.33

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
SCHEMBL14795026 0.85 PTGS2 (0.44) L3MBTL1IL1BPTGS2CYP4F2CYP4A11
SCHEMBL4550334 0.83 L3MBTL1 (0.40) L3MBTL1CYP4F2CYP4A11LOXL2LOX
Hydrochloric Acid SCHEMBL2714396 0.82 L3MBTL1 (0.39) L3MBTL1CYP4F2CYP4A11LOXL2LOX
SCHEMBL2228010 0.79 KDM4E (0.49) L3MBTL1IL1BGCKDGAT1EGFR
SCHEMBL3890599 0.79 L3MBTL1 (0.53) L3MBTL1LOXL2LOXMAPT
SCHEMBL30939139 0.79 L3MBTL1 (0.53) L3MBTL1LOXL2LOXMAPT
Hydrochloric Acid SCHEMBL2713855 0.78 L3MBTL1 (0.51) L3MBTL1LOXL2LOXMAPT
Hydrochloric Acid SCHEMBL5012085 0.78 L3MBTL1 (0.51) L3MBTL1LOXL2LOXMAPT
SCHEMBL20133299 0.77 LOXL2 (0.37) CYP4F2CYP4A11LOXL2LOXRRM2
SCHEMBL17339971 0.77 KDM4E (0.45) L3MBTL1IL1BPTGS2GCKDGAT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238533-A1 (Heteroarylmethyl) Thiohydantoins as anticancer drugs BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
EP-2475366-A1 SUBSTITUTED (HETEROARYLMETHYL) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 — — EP disclosed
WO-2011029782-A1 SUBSTITUTED (HETEROARYLMETHYL) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 — — WO 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-20120238533-A1 (Heteroarylmethyl) Thiohydantoins as anticancer drugs SRD5A1, NR5A1, SRD5A2 L3MBTL1 1912/4885IL1B 2715/4885PTGS2 1268/4885

“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.

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