SCHEMBL515209

SCHEMBL515209

[CH2]OCc1ccccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
PLAU P00749 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.42
RAB9A P51151 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40
TACR1 P25103 1/20 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
SCHEMBL6668462 0.83 FFAR1 (0.46) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL3156172 0.80 FFAR1 (0.42) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL1715776 0.79 IDO1 (0.50) FFAR1PLAUALDH1A1KDM4ERAB9A
SCHEMBL515210 0.79 ALDH1A1 (0.48) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL587512 0.79 FFAR1 (0.41) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL4527591 0.78 FFAR1 (0.43) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL9363508 0.76 ALDH1A1 (0.47) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL17986342 0.76 RAB9A (0.47) FFAR1PLAUALDH1A1KDM4ECYP19A1
SCHEMBL9270379 0.76 FFAR1 (0.64) FFAR1PLAUALDH1A1KDM4EMAPT
SCHEMBL28384896 0.76 PLAU (0.44) FFAR1PLAUALDH1A1KDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
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
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 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-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 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
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP 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 (5 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH FFAR1 2928/4885PLAU 4791/4885ALDH1A1 654/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 FFAR1 58/4885PLAU 4831/4885ALDH1A1 412/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 FFAR1 1188/4885PLAU 4826/4885ALDH1A1 1574/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 FFAR1 3941/4885PLAU 4791/4885ALDH1A1 279/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH FFAR1 3141/4885PLAU 4790/4885ALDH1A1 683/4885

“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.