SCHEMBL18884397

SCHEMBL18884397

NNc1ccccc1OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ G6PD P11413 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MRGPRX1 Q96LB2 6/20 0.43
▸ BACE1 P56817 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ S1PR4 O95977 1/20 0.39

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
Hydrochloric Acid SCHEMBL10533927 0.98 L3MBTL1 (0.52) L3MBTL1ALDH1A1POLBTDP1MAPT
SCHEMBL12017388 0.81 APP (0.50) L3MBTL1ALDH1A1POLBTDP1MAPT
SCHEMBL22593391 0.81 MRGPRX1 (0.43) L3MBTL1ALDH1A1POLBMAPTKDM4E
Hydrochloric Acid SCHEMBL28062296 0.80 APP (0.49) L3MBTL1ALDH1A1POLBTDP1MAPT
SCHEMBL28288419 0.80 MAPT (0.52) L3MBTL1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1400354 0.79 MEN1 (0.49) L3MBTL1ALDH1A1TDP1MAPTKDM4E
SCHEMBL7723877 0.76 MRGPRX1 (0.40) L3MBTL1ALDH1A1POLBMAPTKDM4E
SCHEMBL7733793 0.76 KDM4E (0.43) L3MBTL1POLBTDP1MAPTKDM4E
SCHEMBL24018796 0.75 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTKDM4EMEN1
SCHEMBL22729471 0.75 MRGPRX1 (0.40) L3MBTL1ALDH1A1POLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — US disclosed
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 — — US disclosed
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 — — EP disclosed
WO-2022109161-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-05-27 — — WO disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 — — US disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 — — US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 — — US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 — — 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 (6 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 L3MBTL1 3470/4885ALDH1A1 1574/4885POLB 2670/4885
US-20240025917-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 L3MBTL1 4403/4885ALDH1A1 1701/4885POLB 4522/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 L3MBTL1 3470/4885ALDH1A1 1574/4885POLB 2670/4885
US-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC L3MBTL1 1929/4885ALDH1A1 1563/4885POLB 3724/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 L3MBTL1 3470/4885ALDH1A1 1574/4885POLB 2670/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 L3MBTL1 3470/4885ALDH1A1 1574/4885POLB 2670/4885

“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.

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