SCHEMBL6220544

SCHEMBL6220544

Nc1[c]cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 2/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BACE1 P56817 1/20 0.32
MPL P40238 2/20 0.32
CUL4A Q13619 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6858865 0.77 CA2 (0.39) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL81363 0.74 ALDH1A1 (0.39) POLBALDH1A1TDP1L3MBTL1GAA
SCHEMBL82438 0.74 TDP1 (0.34) POLBALDH1A1TDP1L3MBTL1GAA
SCHEMBL27649844 0.74 PGR (0.34) ALDH1A1TDP1TSHRCA2
SCHEMBL3338590 0.73 CA2 (0.35) POLBALDH1A1TDP1L3MBTL1TSHR
SCHEMBL1068717 0.73 CA2 (0.34) POLBALDH1A1TDP1L3MBTL1GAA
SCHEMBL10924037 0.73 ALDH1A1 (0.33) POLBALDH1A1TDP1L3MBTL1GAA
SCHEMBL160262 0.73 P2RX7 (0.36) POLBALDH1A1TDP1L3MBTL1GAA
SCHEMBL6591151 0.73 NFKB1 (0.33) POLBALDH1A1TDP1L3MBTL1GAA
SCHEMBL330164 0.73 HSD11B1 (0.37) POLBALDH1A1TDP1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed
EP-2897947-B1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-9242941-B2 Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS BRISTOL-METERS SQUIBB COMPANY (US) 2015-08-27 US disclosed
CN-102438990-B Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2014-08-20 CN disclosed
CN-103864704-A Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER SCHERING PHARMA AG 2014-06-18 CN disclosed
CN-103097355-A Novel quinoline esters useful for treating skin disorders WYETH LLC 2013-05-08 CN disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 CN disclosed
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN disclosed
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
US-6878663-B2 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED (JP) 2005-04-12 US disclosed
EP-1008601-B1 Method for producing palladium complex compound CENTRAL GLASS CO LTD (JP) 2005-03-09 EP disclosed
US-6706905-B1 REACTING AROMATIC COMPOUND, PALLADIUM(II) COMPOUND, AND PHOSPHINE DERIVATIVE; COMPLEXING WITH BENZOIC ACID DERIVATIVE; METALLIZATION CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-16 US disclosed
US-20020111482-A1 Method for producing palladium complex compound CENTRAL GLASS COMPANY, LIMITED 2002-08-15 US disclosed
EP-1008601-A2 Method for producing palladium complex compound Central Glass Company, Limited (JP) 2000-06-14 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 (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-20020111482-A1 Method for producing palladium complex compound PDCD1LG2, CD274, PDCD1 POLB 925/4885ALDH1A1 278/4885TDP1 2018/4885
US-20150239851-A1 ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS CNR1, CNR2, NR1I3 POLB 4589/4885ALDH1A1 902/4885TDP1 2575/4885

“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.