SCHEMBL7076378

SCHEMBL7076378

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
JAK2 O60674 2/20 0.55
JAK1 P23458 2/20 0.55
TYK2 P29597 2/20 0.55
HTT P42858 1/20 0.55
NOD2 Q9HC29 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NAMPT P43490 1/20 0.52
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
IL2 P60568 1/20 0.46
TRPA1 O75762 3/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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 0.86 NAMPT (0.56) RAB9AGAAMAPTNPSR1JAK2
SCHEMBL7081218 0.85 GAA (0.56) GAAMAPTNPSR1HTTMEN1
SCHEMBL7074117 0.85 RAB9A (0.53) RAB9AGAAMAPTNPSR1HTT
SCHEMBL7081264 0.84 MEN1 (0.69) RAB9AMAPTHTTMEN1KMT2A
SCHEMBL7076019 0.82 NPC1 (0.60) RAB9AMAPTHTTMEN1KMT2A
SCHEMBL13055402 0.80 CYP17A1 (0.59) GAANAMPTSMN1; SMN2
SCHEMBL632848 0.79 MEN1 (0.54) RAB9AMAPTHTTMEN1KMT2A
SCHEMBL6512177 0.79 ITGB1 (0.53) MAPTKDM4E
SCHEMBL23898931 0.79 NAMPT (0.61) RAB9AMEN1KMT2ANAMPTNPC1
SCHEMBL21661749 0.78 NAMPT (0.72) RAB9AMAPTMEN1KMT2ANAMPT

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 4 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-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 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 RAB9A 3069/4885GAA 3254/4885MAPT 3898/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR RAB9A 3048/4885GAA 2805/4885MAPT 3272/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 RAB9A 732/4885GAA 3370/4885MAPT 4129/4885

“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.