SCHEMBL7081255

SCHEMBL7081255

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NAMPT P43490 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SNCA P37840 1/20 0.45
P2RX1 P51575 2/20 0.44
TLR8 Q9NR97 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GRM5 P41594 2/20 0.42
CYP17A1 P05093 1/20 0.42
ABL1 P00519 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42

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
SCHEMBL7079567 0.89 SNCA (0.58) LMNARAB9ANPC1TDP1SMN1; SMN2
SCHEMBL14410670 0.86 RXFP1 (0.57) LMNARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1456184 0.85 SCN8A (0.49) LMNATLR8
SCHEMBL7081264 0.83 MEN1 (0.69) LMNARAB9ANPC1TDP1SMN1; SMN2
SCHEMBL632848 0.82 MEN1 (0.54) LMNARAB9ANPC1SMN1; SMN2NAMPT
SCHEMBL7081259 0.82 NAMPT (0.47) LMNARAB9ANPC1TDP1SMN1; SMN2
SCHEMBL805306 0.82 CES2 (0.46) LMNARAB9ANPC1SMN1; SMN2CES2
SCHEMBL6773485 0.82 CA12 (0.46) RAB9ANPC1SMN1; SMN2KDM4ENAMPT
SCHEMBL7080560 0.80 NAMPT (0.64) RAB9ANPC1TDP1SMN1; SMN2KDM4E
SCHEMBL29448774 0.79 RXFP1 (0.71) SMN1; SMN2RXFP1P2RX1TMPRSS4

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 LMNA 4701/4885RAB9A 3069/4885NPC1 1705/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR LMNA 4433/4885RAB9A 3048/4885NPC1 797/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 LMNA 4692/4885RAB9A 732/4885NPC1 1212/4885

“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.