Sugi Predict

Sugi Predict / Compounds / SCHEMBL6814686

SCHEMBL6814686

SCHEMBL6814686

CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.65
▸ ALDH1A1 P00352 7/20 0.65
▸ CYP2C9 P11712 2/20 0.64
▸ LMNA P02545 4/20 0.63
▸ THRB P10828 1/20 0.63
▸ CYP2C19 P33261 2/20 0.57
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ MEN1 O00255 3/20 0.54
▸ MAPK1 P28482 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ AURKA O14965 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ GMNN O75496 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
SCHEMBL6816666 0.87 ALDH1A1 (0.66) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL6819379 0.85 ALDH1A1 (0.63) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL11448823 0.83 MAPT (0.68) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL6811631 0.83 MAPT (0.67) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL24900657 0.83 SMN1; SMN2 (0.52) MAPTALDH1A1CYP2C9LMNACYP2C19
SCHEMBL30957579 0.83 SMN1; SMN2 (0.52) MAPTALDH1A1CYP2C9LMNACYP2C19
SCHEMBL6819493 0.82 ALDH1A1 (0.57) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL23675450 0.82 MAPT (0.66) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL11504521 0.80 MAPT (0.67) MAPTALDH1A1CYP2C9LMNATHRB
SCHEMBL8930598 0.80 MAPT (0.63) MAPTALDH1A1CYP2C9LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254142-B 4-[4-(2-substituted-amino kharophen) anilino] quinazoline derivative and Synthesis and applications JIANG University OF TECHNOLOGY (CN) 2015-10-28 — — CN disclosed
CN-103254142-A 4-[4-(2-subtituted amino acetylamino)phenylamino] quinazoline derivative as well as preparation method and application thereof UNIV ZHEJIANG TECHNOLOGY 2013-08-21 — — 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
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-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-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-2000034269-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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP 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 MAPT 3898/4885ALDH1A1 3447/4885CYP2C9 1357/4885

“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.