SCHEMBL7076019

SCHEMBL7076019

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 1/20 0.58
KCNK3 O14649 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
KCNQ3 O43525 2/20 0.55
KCNQ2 O43526 2/20 0.55
KCNE1 P15382 1/20 0.55
KCNQ1 P51787 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NAMPT P43490 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 2/20 0.54
MAPT P10636 1/20 0.54

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 0.90 NAMPT (0.61) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL31396758 0.90 KMT2A (0.62) NPC1RAB9AKMT2AMEN1KCNK3
SCHEMBL29448796 0.88 KMT2A (0.54) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL7074131 0.84 LMNA (0.67) RAB9AKMT2AMEN1LMNAKCNK3
SCHEMBL7074334 0.84 MEN1 (0.58) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL6819689 0.84 PTGS1 (0.61) KMT2AMEN1KDM4ESMN1; SMN2NAMPT
SCHEMBL7074245 0.84 RAB9A (0.60) NPC1RAB9AKMT2AMEN1KCNK3
SCHEMBL31396764 0.83 KMT2A (0.59) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL7080560 0.83 NAMPT (0.64) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL5474962 0.83 MEN1 (0.56) NPC1RAB9AKMT2AMEN1KDM4E

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 NPC1 1705/4885RAB9A 3069/4885KMT2A 2957/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR NPC1 797/4885RAB9A 3048/4885KMT2A 2484/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 NPC1 1212/4885RAB9A 732/4885KMT2A 1121/4885

“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.