Sugi Predict

Sugi Predict / Compounds / SCHEMBL6816581

SCHEMBL6816581

SCHEMBL6816581

CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.63
▸ SLC9A1 P19634 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ PDE7A Q13946 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GALR2 O43603 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ CCR6 P51684 1/20 0.45

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
SCHEMBL8611539 0.89 SLC9A1 (0.64) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL6410203 0.87 CXCR2 (0.66) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL6354726 0.87 SLC9A1 (0.59) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL2972082 0.84 SLC9A1 (0.60) CXCR2SLC9A1ALDH1A1MAPTNPSR1
SCHEMBL10759973 0.84 SLC9A1 (0.63) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL29386167 0.84 SLC9A1 (0.63) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL11872338 0.84 CXCR2 (0.59) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL7785145 0.83 CXCR2 (0.56) CXCR2ALDH1A1KMT2APOLBMEN1
SCHEMBL30296307 0.83 SLC9A1 (0.55) CXCR2SLC9A1ALDH1A1CYP3A4MAPT
SCHEMBL8084032 0.82 SLC9A1 (0.52) CXCR2SLC9A1ALDH1A1CYP3A4MAPT

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-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 — — WO disclosed
US-5212042-A P-iminoquinonediazido-N-sulfonyl compound in phenolic resin binder, for micropattern resists FUJI PHOTO FILM CO., LTD. (JP) 1993-05-18 — — 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 CXCR2 130/4885SLC9A1 2519/4885ALDH1A1 3447/4885

“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.