SCHEMBL7079634

SCHEMBL7079634

CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccco2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
TP53 P04637 7/20 0.64
GAA P10253 3/20 0.64
PTPN2 P17706 1/20 0.63
PTPN1 P18031 1/20 0.63
PTPN6 P29350 1/20 0.63
PTPN11 Q06124 1/20 0.63
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
HPGD P15428 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
NPC1 O15118 9/20 0.62
PKM P14618 1/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL6819042 0.87 RAB9A (0.56) RAB9ASMN1; SMN2TP53GAAPTPN2
SCHEMBL28793821 0.83 RAB9A (0.62) RAB9ASMN1; SMN2TP53GAAKMT2A
SCHEMBL21661825 0.82 KLK7 (0.56) RAB9ASMN1; SMN2TP53HPGDKDM4E
SCHEMBL13240442 0.81 KMT2A (0.91) RAB9ASMN1; SMN2TP53GAAPTPN2
SCHEMBL13055402 0.79 CYP17A1 (0.59) SMN1; SMN2GAAPTPN11ALDH1A1L3MBTL1
SCHEMBL1846669 0.79 RAB9A (0.83) RAB9ASMN1; SMN2TP53GAAPTPN2
SCHEMBL22823075 0.79 RAB9A (1.00) RAB9ASMN1; SMN2TP53GAAPTPN2
SCHEMBL6633618 0.78 KMT2A (0.89) RAB9ASMN1; SMN2TP53GAAPTPN2
SCHEMBL2575722 0.77 SMN1; SMN2 (0.91) RAB9ASMN1; SMN2TP53GAAPTPN2
SCHEMBL23899107 0.77 KLK7 (0.54) RAB9ASMN1; SMN2TP53GAAKMT2A

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 RAB9A 3069/4885SMN1; SMN2 4566/4885TP53 1750/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR RAB9A 3048/4885SMN1; SMN2 4485/4885TP53 1486/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 RAB9A 732/4885SMN1; SMN2 4422/4885TP53 2280/4885

“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.