SCHEMBL5222605

SCHEMBL5222605

Cn1[nH]c(=O)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
RAD51 Q06609 1/20 0.32
AR P10275 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL21092945 0.75 AR (0.36) ARPKM
SCHEMBL1527275 0.72 LMNA (0.40) ARPKM
SCHEMBL3391548 0.67 LMNA (0.44) MAPT
SCHEMBL6962887 0.65
SCHEMBL12620571 0.65
SCHEMBL6642282 0.65
SCHEMBL758498 0.65 RAD51 (0.46) RAD51MAPT
SCHEMBL21092943 0.64 IKBKB (0.38) IKBKBRAD51ARMAPT
SCHEMBL8803221 0.63 ALDH1A1 (0.45) ARMAPT
SCHEMBL8019843 0.63 KDM4E (0.45) ARMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
CN-111655687-A Novel fungicidal heterocyclic compounds PI工业有限公司 2020-09-11 CN disclosed
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2020-09-10 US disclosed
EP-3679035-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI Industries Ltd. (IN) 2020-07-15 EP disclosed
WO-2019048989-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2019-03-14 WO disclosed
EP-1866287-B1 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER IP GMBH (DE) 2016-09-21 EP disclosed
EP-1866287-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES Bayer CropScience AG (DE) 2007-12-19 EP disclosed
US-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides BAYER CROPSCIENCE GMBH (DE) 2006-10-05 US disclosed
WO-2006103003-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2006-10-05 WO 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 (4 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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC IKBKB 3607/4885SMYD3 222/4885RAD51 4551/4885
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP51A1 IKBKB 4071/4885SMYD3 1695/4885RAD51 4728/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC IKBKB 3607/4885SMYD3 222/4885RAD51 4551/4885
US-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides DDT, CBR3, CYP1A1 IKBKB 4618/4885SMYD3 1926/4885RAD51 2255/4885

“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.