Sugi Predict

Sugi Predict / Compounds / SCHEMBL6816481

SCHEMBL6816481

SCHEMBL6816481

CN(C)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HTT P42858 1/20 0.58
▸ HCAR3 P49019 1/20 0.58
▸ MAPK1 P28482 5/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MAPT P10636 8/20 0.50
▸ VCAM1 P19320 1/20 0.50
▸ GLA P06280 1/20 0.48
▸ KIF18A Q8NI77 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL30610948 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EHTTHCAR3MAPK1
SCHEMBL11055761 0.86 MAPK1 (0.50) ALDH1A1KDM4EHTTHCAR3MAPK1
SCHEMBL3199616 0.85 MAPK1 (0.58) ALDH1A1KDM4EHTTHCAR3MAPK1
SCHEMBL9683236 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHTTHCAR3MAPK1
SCHEMBL3487462 0.82 HCAR3 (0.51) ALDH1A1KDM4EHCAR3MAPK1TSHR
SCHEMBL3487466 0.82 HCAR3 (0.51) ALDH1A1KDM4EHCAR3MAPK1TSHR
SCHEMBL26118192 0.82 CYP19A1 (0.52) ALDH1A1KDM4EHTTMAPK1TSHR
SCHEMBL28217113 0.81 MAPK1 (0.53) ALDH1A1MAPK1TSHRNPSR1MAPT
SCHEMBL3518353 0.80 MEN1 (0.53) ALDH1A1HTTHCAR3MAPK1TSHR
SCHEMBL4546416 0.80 MAPK1 (0.47) ALDH1A1HCAR3MAPK1TSHRNPSR1

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 44 patents — showing the first 20. 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
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
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-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 — — US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 — — US 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-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-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
US-4520196-A α-Mercaptophenylacetic acid derivatives of imidazole-containing compounds and analogues thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1985-05-28 — — 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 (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 ALDH1A1 3447/4885KDM4E 2975/4885HTT 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.