SCHEMBL2095572

SCHEMBL2095572

[CH]c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.39
NFKB1 P19838 1/20 0.39
KIF11 P52732 1/20 0.39
HTR2C P28335 2/20 0.38
BACE1 P56817 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2095570 1.00 ALDH1A1 (0.44) ALDH1A1TDP1POLBL3MBTL1MEN1
SCHEMBL29441997 0.81 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1MEN1
SCHEMBL63469 0.81 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1MEN1
SCHEMBL2096428 0.78 CA1 (0.33) ALDH1A1TDP1POLBL3MBTL1MEN1
SCHEMBL2096427 0.78 CA1 (0.33) ALDH1A1TDP1POLBL3MBTL1MEN1
Hydrogen Sulfide SCHEMBL28274662 0.78 ALDH1A1 (0.50) ALDH1A1TDP1POLBL3MBTL1MEN1
SCHEMBL18242098 0.76 P2RX7 (0.38) ALDH1A1TDP1POLBL3MBTL1MEN1
Iodide SCHEMBL29093541 0.75 ALDH1A1 (0.48) ALDH1A1TDP1POLBL3MBTL1MEN1
Bromide SCHEMBL29093546 0.75 ALDH1A1 (0.48) ALDH1A1TDP1POLBL3MBTL1MEN1
SCHEMBL5253369 0.74 ALDH1A1 (0.38) ALDH1A1TDP1POLBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3315579-B1 SURFACE TREATMENT AGENT INCLUDING PERFLUORO(POLY)ETHER GROUP-CONTAINING SILANE COMPOUND DAIKIN IND LTD (JP) 2024-05-01 EP claimed
EP-3088487-A1 SURFACE TREATING AGENT INCLUDING PERFLUORO(POLY)ETHER-GROUP-CONTAINING SILANE COMPOUND Daikin Industries, Ltd. (JP) 2016-11-02 EP claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US disclosed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060142336-A1 N-sulfonylpiperidines as metalloproteinase inhibitors (tace) ASTRAZENECA AB (SE) 2006-06-29 US disclosed
EP-1534281-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) Astrazeneca AB (SE) 2005-06-01 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2004006925-A1 N-SULFONYLPIPERIDINES AS METALLOPROTEINASE INHIBITORS (TACE) ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0210571-A1 Phosphonopyridines and their 1,4-dihydroderivatives BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1987-02-04 EP disclosed
US-4450298-A Vapor phase catalytic hydrolysis of benzal chloride or its halogen- or trifluoromethyl-substitute to form benzaldehyde or substitute CENTRAL GLASS COMPANY, LIMITED (JP) 1984-05-22 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885TDP1 4548/4885POLB 757/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD ALDH1A1 215/4885TDP1 2971/4885POLB 4763/4885
US-20060142336-A1 N-sulfonylpiperidines as metalloproteinase inhibitors (tace) ADAM10, ADAM9, CTRL ALDH1A1 3388/4885TDP1 1640/4885POLB 4151/4885

“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.