SCHEMBL7074334

SCHEMBL7074334

COC(=O)c1cccc(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
PLAU P00749 4/20 0.56
NAMPT P43490 1/20 0.55
STAT3 P40763 1/20 0.55
LMNA P02545 1/20 0.54
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
GPR17 Q13304 1/20 0.51
PLAT P00750 2/20 0.51
PLG P00747 1/20 0.51

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
SCHEMBL23898931 0.93 NAMPT (0.61) MEN1KMT2ARAB9ATP53SMN1; SMN2
SCHEMBL15789054 0.86 RAB9A (0.61) MEN1KMT2ARAB9ATP53SMN1; SMN2
SCHEMBL7078444 0.85 TP53 (0.70) MEN1KMT2ARAB9ATP53SMN1; SMN2
SCHEMBL7074245 0.84 RAB9A (0.60) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6819689 0.84 PTGS1 (0.61) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL7076019 0.84 NPC1 (0.60) MEN1KMT2ARAB9ATP53SMN1; SMN2
SCHEMBL31396764 0.83 KMT2A (0.59) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL19850751 0.83 TSHR (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL2062613 0.83 NAMPT (0.67) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL7074306 0.83 NAMPT (0.57) MEN1KMT2ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN 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 MEN1 4810/4885KMT2A 2957/4885RAB9A 3069/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MEN1 4755/4885KMT2A 2484/4885RAB9A 3048/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MEN1 4601/4885KMT2A 1121/4885RAB9A 732/4885

“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.