Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363697

SCHEMBL3363697

SCHEMBL3363697

O=C(NCO)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.63
▸ TSHR P16473 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ MAOB P27338 1/20 0.63
▸ MAPT P10636 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ MMP1 P03956 1/20 0.56
▸ CYP2C19 P33261 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54

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
Acetic Acid SCHEMBL7506145 0.92 CYP1A2 (0.56) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL4349764 0.89 THRB (0.55) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL9584535 0.84 CYP1A2 (0.78) CYP1A2TSHRNFKB1MAOBMAPT
4-Chlorohippuric Acid SCHEMBL4002486 0.83 KDM4E (0.67) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL11210009 0.83 MEN1 (0.60) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL6200322 0.83 MEN1 (0.62) CYP1A2TSHRNFKB1MAOBMAPT
4-Chlorohippuric Acid SCHEMBL11524882 0.83 KDM4E (0.67) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL9585652 0.83 CYP1A2 (0.70) CYP1A2TSHRNFKB1MAOBMAPT
4-Chlorohippuric Acid SCHEMBL11522704 0.82 MAPT (0.65) CYP1A2TSHRNFKB1MAOBMAPT
SCHEMBL11004530 0.82 MEN1 (0.58) CYP1A2TSHRNFKB1MAOBMAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862358-B Aryl-substituted oxadiazinone compound and preparation method and application thereof 中山大学 2021-09-10 — — CN disclosed
CN-110862358-A Aryl-substituted oxadiazinone compound and preparation method and application thereof 中山大学 2020-03-06 — — CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 — — US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 — — US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 — — WO disclosed
EP-0657577-A1 Process for photochemical and thermal stabilization of dyed and undyed or printed polyester fibrous materials CIBA-GEIGY AG (CH) 1995-06-14 — — EP disclosed
EP-0103541-B1 ANTHRAQUINONE DYES, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1989-07-19 — — EP disclosed
US-4695406-A Anthraquinone compounds and the production and use thereof CIBA-GEIGY CORPORATION (US) 1987-09-22 — — US disclosed
US-4678611-A Novel dyestuff intermediates and use thereof for the manufacture of novel azo dyes CIBA-GEIGY CORPORATION (US) 1987-07-07 — — US disclosed
US-4501592-A Anthraquinone dyes, process for their preparation, and use thereof CIBA-GEIGY CORPORATION (US) 1985-02-26 — — US disclosed
EP-0103541-A2 Anthraquinone dyes, their preparation and use CIBA-GEIGY AG (CH) 1984-03-21 — — EP disclosed
EP-0012111-B1 WATER-SOLUBLE DYES OF THE 1-AMINO-2-PHENOXY-4-PHENYLAMINO ANTHRAQUINONE SERIES; PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1983-06-08 — — EP disclosed
US-4360460-A Novel azo dyes having a 4-sulfo-5-aminomethyl naphthalene coupling moiety CIBA-GEIGY AG (CH) 1982-11-23 — — US disclosed
US-4328159-A Anthraquinone compounds and mixtures thereof CIBA-GEIGY CORPORATION (US) 1982-05-04 — — US disclosed
US-4309180-A Anthraquinone compounds and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-01-05 — — US disclosed
US-4288363-A Novel azo dyes having 2-amino-5-aminomethyl-7-sulfo naphthalene coupling moiety CIBA-GEIGY CORPORATION (US) 1981-09-08 — — US disclosed
US-4244691-A Novel water-soluble anthraquinone dyes CIBA-GEIGY CORPORATION (US) 1981-01-13 — — US disclosed
EP-0012111-A2 Water-soluble dyes of the 1-amino-2-phenoxy-4-phenylamino anthraquinone series; process for their preparation and their application CIBA-GEIGY AG (CH) 1980-06-11 — — EP disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 — — US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 — — 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CYP1A2 588/4885TSHR 1346/4885NFKB1 4514/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP1A2 1154/4885TSHR 4634/4885NFKB1 3155/4885

“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.