SCHEMBL7076430

SCHEMBL7076430

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
NR1H4 Q96RI1 4/20 0.65
MAPT P10636 5/20 0.62
USP2 O75604 1/20 0.62
MAPK1 P28482 1/20 0.62
ESR2 Q92731 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
SMPD1 P17405 1/20 0.59
MAOB P27338 1/20 0.55

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
SCHEMBL29910262 0.86 PDK1 (0.65) KMT2AMEN1NR1H4MAPK1NPC1
SCHEMBL22920172 0.86 PDK1 (0.65) KMT2AMEN1NR1H4MAPK1NPC1
SCHEMBL2987817 0.84 RAB9A (0.74) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7074196 0.83 MAPT (0.53) KMT2AMEN1NR1H4MAPTMAPK1
SCHEMBL7081074 0.83 LMNA (0.51) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL7076022 0.83 THRB (0.67) KMT2AMEN1NR1H4MAPTMAPK1
SCHEMBL32665611 0.83 SMPD1 (0.60) KMT2AMEN1NR1H4NPC1RAB9A
SCHEMBL7078440 0.82 NR1H4 (0.72) KMT2AMEN1NR1H4MAPTUSP2
SCHEMBL7671694 0.82 KMT2A (0.55) KMT2AMEN1NR1H4MAPTUSP2
SCHEMBL7078444 0.82 TP53 (0.70) KMT2AMEN1MAPTMAPK1NPC1

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-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 KMT2A 2957/4885MEN1 4810/4885NR1H4 664/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR KMT2A 2484/4885MEN1 4755/4885NR1H4 318/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 KMT2A 1121/4885MEN1 4601/4885NR1H4 2317/4885

“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.