SCHEMBL7075705

SCHEMBL7075705

NCc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
TDP1 Q9NUW8 2/20 0.75
LMNA P02545 2/20 0.69
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
KLKB1 P03952 2/20 0.62
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HTT P42858 1/20 0.60
PLG P00747 4/20 0.59
KLK1 P06870 4/20 0.59
KLK6 Q92876 4/20 0.59
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
NPSR1 Q6W5P4 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
SCHEMBL7074375 0.84 JAK2 (0.61) MEN1KMT2ATDP1LMNANPC1
SCHEMBL27483855 0.83 KLKB1 (0.64) KMT2ANPC1RAB9AKLKB1PLG
SCHEMBL12700210 0.83 ALDH1A1 (0.69) MEN1KMT2AKLKB1PLGKLK1
SCHEMBL679040 0.82 MEN1 (0.83) MEN1KMT2ATDP1LMNANPC1
SCHEMBL30739608 0.82 LMNA (1.00) MEN1KMT2ATDP1LMNANPC1
SCHEMBL6295702 0.82 LMNA (1.00) MEN1KMT2ATDP1LMNANPC1
SCHEMBL4363732 0.81 MEN1 (0.89) MEN1KMT2ATDP1LMNANPC1
SCHEMBL4242557 0.81 MEN1 (0.75) MEN1KMT2ATDP1LMNANPC1
SCHEMBL30182852 0.81 PLAU (0.60) KLKB1PLGKLK1KLK6
SCHEMBL18285117 0.79 KLKB1 (0.73) KLKB1PLGKLK1KLK6

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-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 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-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 MEN1 4810/4885KMT2A 2957/4885TDP1 452/4885
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR MEN1 4755/4885KMT2A 2484/4885TDP1 1349/4885
US-20020026055-A1 Aminopyridine-containing thiourea inhibitors of herpes viruses TK1, TPMT, CXCR6 MEN1 4601/4885KMT2A 1121/4885TDP1 505/4885

“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.