SCHEMBL7079571

SCHEMBL7079571

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccoc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 1/20 0.49
PSMB8 P28062 1/20 0.46
NAMPT P43490 1/20 0.41
CYP17A1 P05093 2/20 0.40
BCL2 P10415 1/20 0.40
BECN1 Q14457 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL6816075 0.84 KDM4E (0.68) KDM4EGAAMAPTPSMB8NAMPT
SCHEMBL6814023 0.83 PSMB8 (0.46) GAAPSMB8NAMPTCYP17A1BCL2
SCHEMBL7715855 0.82 MAPT (0.49) KDM4EGAAMAPTLMNANPSR1
SCHEMBL6814783 0.78 LMNA (0.64) GAAPSMB8NAMPTLMNA
SCHEMBL6811054 0.74 NAMPT (0.54) KDM4EGAAPSMB8NAMPTCYP17A1
SCHEMBL6814819 0.72 MAPT (0.46) KDM4EGAAMAPTLMNANPSR1
SCHEMBL6815330 0.71 ALDH1A1 (0.50) GAAMAPTPSMB8NAMPTCYP17A1
SCHEMBL190015 0.70 CA12 (0.45) PSMB8NAMPTCYP17A1BCL2BECN1
SCHEMBL27647685 0.70 LCK (0.43) PSMB8BCL2BECN1
SCHEMBL6815952 0.69 PPARG (0.43) KDM4EGAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP claimed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US 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 (3 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 KDM4E 2975/4885GAA 3254/4885MAPT 3898/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR KDM4E 1441/4885GAA 2805/4885MAPT 3272/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 KDM4E 225/4885GAA 3370/4885MAPT 4129/4885

“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.