SCHEMBL11049484

SCHEMBL11049484

Nc1ccc(OC(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 6/20 0.35
MAPT P10636 3/20 0.33
BACE1 P56817 2/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 2/20 0.32
USP2 O75604 2/20 0.32
KIT P10721 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CACNA1H O95180 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
SCHEMBL25693050 0.84 ALDH1A1 (0.41) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL30349361 0.83 GRIN2B (0.41) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL14386474 0.83 GRIN2B (0.41) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL3126016 0.83 GAA (0.41) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL25225374 0.82 GRIN2B (0.40) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL2229809 0.82 ALDH1A1 (0.42) KMT2AGAAMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL30298620 0.82 GRIN2B (0.40) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL9024147 0.81 ALDH1A1 (0.44) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL30059265 0.78 MEN1 (0.40) KMT2AGAAMEN1ALDH1A1MAPT
SCHEMBL25968454 0.78 MEN1 (0.40) KMT2AGAAMEN1ALDH1A1MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
CN-109843283-B Urea derivatives 第一三共株式会社 2022-08-30 CN disclosed
EP-4013762-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS Inflazome Limited (IE) 2022-06-22 EP disclosed
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 CN disclosed
US-20220144765-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-20210206716-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-07-08 US disclosed
WO-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed
US-10968169-B2 Urea derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-04-06 US disclosed
US-10202376-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 US disclosed
US-20170362223-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-21 US disclosed
EP-3239150-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
US-9783539-B2 Indoloquinolone compounds as anaplastic lymphoma kinase (ALK) inhibitors JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-10-10 US disclosed
US-20170066761-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2017-03-09 US disclosed
EP-3110815-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS Jiangsu Ascentage Biomed Development Inc. (CN) 2017-01-04 EP disclosed
WO-2015127629-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS JIANGSU ASCENTAGE BIOMED DEVELOPMENT INC. (CN) 2015-09-03 WO disclosed
EP-0052473-B1 N-SUBSTITUTED PHENYL-1-METHYLCYCLOPROPANECARBOXAMIDES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-22 EP disclosed
US-4447260-A N-Substituted phenyl-1-methylcyclopropanecarboxamides, and their herbicidal use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-08 US disclosed
EP-0052473-A2 N-Substituted phenyl-1-methylcyclopropanecarboxamides, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-26 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 (8 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-20170066761-A1 INDOLOQUINOLONE COMPOUNDS AS ANAPLASTIC LYMPHOMA KINASE (ALK) INHIBITORS ALK, BCL6, BCL6B KMT2A 712/4885GAA 1353/4885MEN1 3225/4885
US-20210206716-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 KMT2A 2283/4885GAA 1221/4885MEN1 4040/4885
US-10968169-B2 Urea derivative IDO1, IDO2, UTS2R KMT2A 2627/4885GAA 1220/4885MEN1 3957/4885
US-10202376-B2 Heterocyclic compound GRIN2A, GRIN1, GRIN2B KMT2A 838/4885GAA 4353/4885MEN1 1231/4885
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR KMT2A 4123/4885GAA 398/4885MEN1 604/4885
US-20220144765-A1 UREA DERIVATIVE IDO1, IDO2, TPH1 KMT2A 2283/4885GAA 1221/4885MEN1 4040/4885
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, PYCARD KMT2A 2976/4885GAA 658/4885MEN1 3354/4885
US-20170362223-A1 HETEROCYCLIC COMPOUND GRIN2A, GRIN1, GRIN2B KMT2A 838/4885GAA 4353/4885MEN1 1231/4885

“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.