SCHEMBL6816692

SCHEMBL6816692

Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.64
RAB9A P51151 7/20 0.64
HTT P42858 2/20 0.64
ALOX15 P16050 1/20 0.64
TP53 P04637 1/20 0.64
MAPK1 P28482 1/20 0.64
GAA P10253 2/20 0.62
CYP1A2 P05177 1/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.51

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
SCHEMBL30354941 1.00 NPC1 (0.64) NPC1RAB9AHTTALOX15TP53
SCHEMBL29151308 0.88 GAA (0.56) NPC1RAB9AHTTALOX15TP53
SCHEMBL12700208 0.85 GAA (0.59) NPC1RAB9AGAACYP1A2KDM4E
SCHEMBL27135419 0.84 CYP1A2 (0.58) NPC1RAB9AHTTMAPK1GAA
SCHEMBL30354841 0.84 MAPT (0.65) NPC1RAB9AHTTTP53GAA
SCHEMBL6814530 0.84 MAPT (0.65) NPC1RAB9AHTTTP53GAA
SCHEMBL30339281 0.84 CYP1A2 (0.58) NPC1RAB9AHTTMAPK1GAA
SCHEMBL25063077 0.84 CYP1A2 (0.69) NPC1RAB9AHTTGAACYP1A2
SCHEMBL30142670 0.84 CYP1A2 (0.69) NPC1RAB9AHTTGAACYP1A2
SCHEMBL7945619 0.82 KCNMA1 (0.58) NPC1RAB9AHTTTP53GAA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN disclosed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP 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
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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 (1 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 NPC1 1705/4885RAB9A 3069/4885HTT 2168/4885

“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.