SCHEMBL3061999

SCHEMBL3061999

Cc1cc(C(=O)Cl)c(C(F)(F)F)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NOTUM Q6P988 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCD O00767 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14749252 0.83 MAPT (0.38) MAPTKDM4ENOTUMHTTHTR1A
SCHEMBL885485 0.83 NOTUM (0.49) MAPTKDM4ENOTUMHTTHTR1A
SCHEMBL2308270 0.82 ALDH1A1 (0.39) MAPTKDM4ENOTUMHTTHTR1A
SCHEMBL420546 0.81 L3MBTL1 (0.43) MAPTKDM4ENOTUMHTTHTR1A
SCHEMBL13485763 0.79 KDM4E (0.42) MAPTKDM4EBRCA1HSD17B10SCD
SCHEMBL2305192 0.79 MAPT (0.42) MAPTKDM4EBRCA1HSD17B10SCD
SCHEMBL13753406 0.78 NPSR1 (0.43) MAPTKDM4EHTTHSD17B10AURKA
SCHEMBL2280370 0.76 GAA (0.54) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13753597 0.76 POLB (0.44) MAPTKDM4ESCDAURKARPS6KB1
SCHEMBL13753489 0.76 TAS1R3 (0.40) MAPTKDM4EHTTBRCA1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221814-B2 Heterocyclic guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-12-29 US disclosed
US-9221814-B2 Heterocyclic guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-12-29 US disclosed
US-9221814-B2 Heterocyclic guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-12-29 US disclosed
US-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-28 US disclosed
US-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-28 US disclosed
US-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-28 US disclosed
EP-2866893-A2 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS Lycera Corporation (US) 2015-05-06 EP disclosed
US-8785662-B2 Anilide-based compounds for preserving wood and method of use thereof SDS BIOTECH K.K. (JP) 2014-07-22 US disclosed
WO-2013185048-A2 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2013-12-12 WO disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20130059014-A1 PRESERVATIVE FOR PRESERVING WOOD AND METHOD FOR TREATING WOOD SDS BIOTECH K. K. (JP) 2013-03-07 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
US-20060293297-A1 Cyanofluoropyrrolidine derviative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-12-28 US disclosed
CN-1791575-A Cyanofluoropyrrolidine derivative. TAISHO PHARMACEUTICAL CO LTD (JP) 2006-06-21 CN disclosed
EP-1627870-A1 CYANOFLUOROPYRROLIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-02-22 EP disclosed
CN-1091349-C N-(heterocycloformyl) sulfonamide herbicide SHENYANG INST OF CHEMICAL ENGI (CN) 2002-09-25 CN disclosed
CN-1274528-A N-(heterocycloformyl) sulfonamide herbicide SHENYANG INST OF CHEMICAL ENGI (CN) 2000-11-29 CN disclosed
US-6117821-A COMPRISING HERBICIDES AND AGRONOMICALLY ACCEPTABLE CARRIERS; USE THEREOF AS BROAD SPECTRUM HERBICIDES WHICH ARE EFFECTIVE AGAINST BOTH MONOCOT AND DICOT WEED SPECIES IN BOTH PREEMERGENCE AND POSTEMERGENCE APPLICATIONS ROHM AND HAAS COMPANY (US) 2000-09-12 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-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAPT 3486/4885KDM4E 1801/4885NOTUM 4498/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885KDM4E 4164/4885NOTUM 4364/4885
US-20130059014-A1 PRESERVATIVE FOR PRESERVING WOOD AND METHOD FOR TREATING WOOD ALKBH5, DCXR, AKR7A2 MAPT 1158/4885KDM4E 44/4885NOTUM 143/4885
US-20060293297-A1 Cyanofluoropyrrolidine derviative DPP4, DPP3, NPY4R MAPT 4708/4885KDM4E 1464/4885NOTUM 2375/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885KDM4E 4164/4885NOTUM 4364/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885KDM4E 4164/4885NOTUM 4364/4885

“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.