SCHEMBL7079773

SCHEMBL7079773

COc1cc(NC(=O)c2ccccc2F)c(OC)cc1N

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
ALDH1A1 P00352 3/20 0.69
KDM4E B2RXH2 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 3/20 0.66
MEN1 O00255 3/20 0.66
LMNA P02545 1/20 0.66
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
PYGL P06737 2/20 0.53
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL6816255 0.90 ALDH1A1 (0.66) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL11312236 0.85 ALDH1A1 (0.66) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL8581036 0.85 KMT2A (0.51) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7785379 0.85 KMT2A (0.60) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL11306224 0.84 HDAC1 (0.62) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29887369 0.84 KMT2A (0.65) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6819242 0.84 KMT2A (0.65) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7785213 0.83 KMT2A (0.55) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6816627 0.82 NPC1 (0.69) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL21870338 0.81 ALDH1A1 (0.64) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2002-02-28 US disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN 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 KMT2A 2957/4885ALDH1A1 3447/4885KDM4E 2975/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR KMT2A 2484/4885ALDH1A1 3620/4885KDM4E 1441/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 KMT2A 1121/4885ALDH1A1 3601/4885KDM4E 225/4885

“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.