SCHEMBL7079568

SCHEMBL7079568

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.57
TDP1 Q9NUW8 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.53
MAPT P10636 5/20 0.52
TP53 P04637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HDAC1 Q13547 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HTT P42858 1/20 0.48
XBP1 P17861 1/20 0.48

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
SCHEMBL7078558 0.87 NAMPT (0.56) NAMPTTDP1RAB9AKDM4EMEN1
SCHEMBL7081264 0.86 MEN1 (0.69) TDP1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30182179 0.85 NAMPT (0.56) NAMPTTDP1NPSR1MAPTHDAC1
SCHEMBL23898926 0.81 NAMPT (0.57) NAMPTTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL23899245 0.81 NAMPT (0.72) NAMPTTDP1SMN1; SMN2NPSR1LMNA
SCHEMBL6795009 0.81 MTTP (0.55) NAMPTKDM4EHDAC1
SCHEMBL23898927 0.80 NAMPT (0.58) NAMPTTDP1KDM4ENPSR1MAPT
SCHEMBL6816843 0.79 KMT2A (0.55) TDP1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4922883 0.79 NAMPT (0.63) NAMPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2012264 0.78 NAMPT (0.58) NAMPTTDP1SMN1; SMN2NPC1RAB9A

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 NAMPT 3260/4885TDP1 452/4885SMN1; SMN2 4566/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR NAMPT 3999/4885TDP1 1349/4885SMN1; SMN2 4485/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 NAMPT 4031/4885TDP1 505/4885SMN1; SMN2 4422/4885

“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.