SCHEMBL515008

SCHEMBL515008

COC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.67
MAPT P10636 7/20 0.65
ALDH1A1 P00352 5/20 0.65
LMNA P02545 4/20 0.65
GAA P10253 3/20 0.65
TP53 P04637 1/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 3/20 0.64
RAB9A P51151 1/20 0.64
NPSR1 Q6W5P4 2/20 0.63
XBP1 P17861 1/20 0.63
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PKM P14618 1/20 0.56

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
SCHEMBL2092939 0.87 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL30042580 0.86 RXFP1 (0.73) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL1013325 0.86 RXFP1 (0.73) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL515007 0.85 MAPT (0.62) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL2097862 0.85 HDAC3 (0.59) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL9335041 0.84 HPGD (0.62) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL514283 0.84 MAPT (0.59) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL7565660 0.84 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL23447712 0.84 MAPT (0.63) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL21138402 0.84 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO 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-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP 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
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
US-4386033-A BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SMN1; SMN2 3787/4885L3MBTL1 2575/4885MAPT 4299/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 SMN1; SMN2 4115/4885L3MBTL1 118/4885MAPT 4824/4885

“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.