SCHEMBL3255086

SCHEMBL3255086

[CH]=NOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
IDO1 P14902 1/20 0.50
AGXT P21549 1/20 0.48
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CALM1 P0DP23 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40

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
SCHEMBL16005783 0.81 TSHR (0.57) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL4631197 0.80 TSHR (0.50) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL1425850 0.77 TSHR (0.52) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL10973052 0.77 TSHR (0.52) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL214681 0.77 TSHR (0.52) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL29169702 0.77 TSHR (0.52) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL4767507 0.77 TSHR (0.52) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL6598540 0.75 TSHR (0.50) TSHRIDO1AGXTRAB9ANPC1
SCHEMBL5229035 0.75 AGXT (0.54) IDO1AGXTRAB9ANPC1CA1
SCHEMBL17986230 0.75 IDO1 (0.54) IDO1AGXTRAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation SINDKHEDKAR MILIND D 2009-01-15 US claimed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US claimed
EP-1912980-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION Wockhardt Limited (IN) 2008-04-23 EP claimed
WO-2007023507-A2 OXAZOLIDINONES BEARING ANTIMICROBIAL ACTIVITY COMPOSITION AND METHODS OF PREPARATION WOCKHARDT LIMITED (IN) 2007-03-01 WO claimed
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 EP claimed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 WO claimed
WO-2005041665-A1 INSECTICIDAL PERFLUOROALKYLTHIAZOLE DERIVATIVES NIPPON SODA CO. LTD. (JP) 2005-05-12 WO claimed
US-20050090506-A1 Insecticidal perfluoroalkylthiazole derivatives NIPPON SODA CO., LTD. 2005-04-28 US claimed
EP-0349282-B1 2-(Acylimino)thiazolidine Herbicides ICI AMERICA INC (US) 1994-08-17 EP claimed
EP-0451168-B1 1-PHENYL-3-CARBOXYAMIDOPYRROLIDONES AND THEIR USE AS HERBICIDES ZENECA INC (US) 1994-06-15 EP claimed
EP-0377532-A1 Thioformamide derivatives MAY AND BAKER LIMITED (GB) 1990-07-11 EP claimed
US-4913722-A HERBICIDES ICI AMERICAS INC. (US) 1990-04-03 US claimed
EP-0349282-A1 2-(Acylimino)thiazolidine Herbicides ZENECA INC. (US) 1990-01-03 EP claimed
EP-0349283-A1 Novel herbicidal 2-sulfonyliminothiazolidines ZENECA INC. (US) 1990-01-03 EP claimed
US-4877880-A REACTING AN N-3-SUBSTITUTED ALLYL ANILINE WITH AN ARYLISOTHIOCYANATE, REACTING THE RESULTANT THIOUREA WITH A (TRIFLUORO-)METHANESULFONIC ACID ICI AMERICAS INC. (US) 1989-10-31 US claimed
US-4874422-A 1-Phenyl-3-carboxyamidopyrrolidones and their use as herbicides ICI AMERICAS INC. (US) 1989-10-17 US claimed
US-4867780-A PRE- AND POSTEMERGENCE HERBICIDES ICI AMERICAS, INC. (US) 1989-09-19 US claimed
US-4867782-A BROADLEAF AND GRASSY WEEDS ICI AMERICAS INC. (US) 1989-09-19 US claimed
EP-0318253-A1 Iminophenylthiazolidines, process of preparation, and method of use ICI AMERICAS INC. (US) 1989-05-31 EP claimed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX TSHR 3493/4885IDO1 93/4885AGXT 2744/4885
US-20050090506-A1 Insecticidal perfluoroalkylthiazole derivatives FFAR3, CYP4F3, NPFFR1 TSHR 113/4885IDO1 3341/4885AGXT 1406/4885
US-20090018123-A1 Oxazolidinones Bearing Antimicrobial Activity Composition and Methods of Preparation POLL, POLM, POLRMT TSHR 3584/4885IDO1 3719/4885AGXT 560/4885

“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.