SCHEMBL1287404

SCHEMBL1287404

CC(=O)c1cc2cc(F)ccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 2/20 0.67
HSD17B10 Q99714 2/20 0.67
GLA P06280 1/20 0.67
HPGD P15428 1/20 0.67
CASP1 P29466 1/20 0.67
BRCA1 P38398 1/20 0.67
CASP7 P55210 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
FLT3 P36888 4/20 0.47
NPC1 O15118 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL16795786 0.86 ALDH1A1 (0.53) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL2704996 0.84 NPC1 (0.49) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL30419935 0.84 PIM1 (0.64) LMNAKDM4EALDH1A1HSD17B10GLA
SCHEMBL2897831 0.84 PIM1 (0.64) LMNAKDM4EALDH1A1HSD17B10GLA
SCHEMBL23875930 0.82 NPC1 (0.47) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL22276177 0.81 CHRNA7 (0.47) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL30136785 0.81 KDM4E (0.45) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL24757682 0.81 KDM4E (0.45) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL29404836 0.81 CHRNA7 (0.47) LMNAKDM4EALDH1A1GAAHSD17B10
SCHEMBL29051332 0.81 CHRNA7 (0.55) KDM4EALDH1A1GAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-08-17 US disclosed
US-11661430-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 US disclosed
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 US disclosed
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 US disclosed
US-11661430-B2 Tetrazole derivatives as TRPA1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-05-30 US disclosed
US-11578080-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-02-14 US disclosed
WO-2022079092-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-21 WO disclosed
WO-2022079091-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-21 WO disclosed
US-20220112210-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2022-04-14 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
WO-2015087094-A1 NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SEMMELWEIS EGYETEM (HU) 2015-06-18 WO disclosed
US-20130225673-A1 DEVELOPING POTENT URATE TRANSPORTER INHIBITORS: COMPOUNDS DESIGNED FOR THEIR URICOSURIC ACTION J-PHARMA CO., LTD. (JP) 2013-08-29 US disclosed
WO-2012048058-A2 DEVELOPING POTENT URATE TRANSPORTER INHIBITORS: COMPOUNDS DESIGNED FOR THEIR URICOSURIC ACTION J-PHARMA CO., LTD. (JP) 2012-04-12 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 (7 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-11578080-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 LMNA 4151/4885KDM4E 3740/4885ALDH1A1 822/4885
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC LMNA 2961/4885KDM4E 3178/4885ALDH1A1 1137/4885
US-20230257395-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 LMNA 3384/4885KDM4E 4765/4885ALDH1A1 1326/4885
US-20220112210-A1 TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV5 LMNA 3384/4885KDM4E 4765/4885ALDH1A1 1326/4885
US-11661427-B2 Tetrazole derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV5 LMNA 3570/4885KDM4E 4764/4885ALDH1A1 1265/4885
US-11661430-B2 Tetrazole derivatives as TRPA1 inhibitors TRPA1, TRPV1, TRPV5 LMNA 3570/4885KDM4E 4764/4885ALDH1A1 1265/4885
US-20130225673-A1 DEVELOPING POTENT URATE TRANSPORTER INHIBITORS: COMPOUNDS DESIGNED FOR THEIR URICOSURIC ACTION SLCO2B1, SLCO2A1, SLC10A6 LMNA 3361/4885KDM4E 3333/4885ALDH1A1 1289/4885

“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.