SCHEMBL514613

SCHEMBL514613

COCc1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
MAOB P27338 4/20 0.51
MAOA P21397 1/20 0.51
TRPA1 O75762 1/20 0.47
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
PDK2 Q15119 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
TACR1 P25103 1/20 0.43
POLQ O75417 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30810173 0.83 IDO1 (0.56) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL3088642 0.83 IDO1 (0.70) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL12016021 0.81 P2RX7 (0.45) IDO1TRPA1SLC6A2SLC6A4PDK2
SCHEMBL20897169 0.81 IDO1 (0.42) IDO1MAOBMAOATRPA1PDK2
SCHEMBL7803325 0.81 IDO1 (0.42) IDO1MAOBMAOATRPA1PDK2
SCHEMBL14969341 0.80 IDO1 (0.52) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL18213790 0.80 IDO1 (0.61) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL13677273 0.80 IDO1 (0.61) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL14562360 0.80 IDO1 (0.56) IDO1MAOBMAOASLC6A2SLC6A4
SCHEMBL17986303 0.79 IDO1 (0.66) IDO1MAOBMAOASLC6A4CARM1

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 73 patents — showing the first 20. 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
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
US-10941153-B2 Substituted phenethylamine derivatives REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-03-09 US disclosed
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2020-04-23 US disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
US-10005786-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of MGLUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 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
US-4792635-A Symmetric benzophenones substituted by groups containing fluorine BAYER AKTIENGESELLSCHAFT (DE) 1988-12-20 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 (10 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 IDO1 890/4885MAOB 641/4885MAOA 1727/4885
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines IL2, TSLP, IFNG IDO1 195/4885MAOB 3842/4885MAOA 4051/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 IDO1 2775/4885MAOB 4017/4885MAOA 4106/4885
US-10005786-B2 Substituted 6,7-dihydropyrazolo[1,5-a]pyrazines as negative allosteric modulators of MGLUR2 receptors GRM2, GRM5, GRM1 IDO1 2619/4885MAOB 3618/4885MAOA 3783/4885
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 IDO1 1021/4885MAOB 227/4885MAOA 532/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885MAOB 410/4885MAOA 608/4885
US-10941153-B2 Substituted phenethylamine derivatives PNMT, PRMT1, PRMT3 IDO1 679/4885MAOB 274/4885MAOA 200/4885
US-20200121677-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 IDO1 2775/4885MAOB 4017/4885MAOA 4106/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 IDO1 2619/4885MAOB 3618/4885MAOA 3783/4885
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES CYC1, SQOR, MT-CO3 IDO1 1034/4885MAOB 196/4885MAOA 491/4885

“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.