SCHEMBL4582579

SCHEMBL4582579

CC(Br)C(=O)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.53
DAO P14920 1/20 0.53
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 4/20 0.43
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL13423078 0.84 F2 (0.57) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL10534730 0.84 F2 (0.57) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL6623234 0.82 F2 (0.55) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL10861138 0.78 DAO (0.55) DAOALDH1A1KDM4EGAAHPGD
SCHEMBL11457495 0.78 F2 (0.59) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL9593131 0.78 F2 (0.59) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL10352208 0.77 F2 (0.48) F2DAOGSK3BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10352335 0.75 F2 (0.47) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL2792677 0.73 F2 (0.44) F2DAOGSK3BALDH1A1KDM4E
SCHEMBL11703462 0.73 F2 (0.44) F2DAOGSK3BALDH1A1KDM4E

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
EP-3219207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES The Trustees Of The University Of Pennsylvania (US) 2017-09-20 EP disclosed
US-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2017-06-22 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-9649317-B2 Heterocyclic compounds and their use for the treatment of neurodegenerative tauopathies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-05-16 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES NIH - DEITR 2015-08-13 US disclosed
WO-2014047257-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-27 WO disclosed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed
EP-0248107-B1 THIOPHENE RING-SUBSTITUTED ALPHA-(ALKYLAMINOPROPIONYL)-THIOPHENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACUETICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1990-07-18 EP disclosed
EP-0196001-B1 THIOPHENE RING-SUBSTITUTED ALPHA-(ALKYLAMINOPROPIONYL)-THIOPHENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1989-01-25 EP disclosed
US-4719225-A Thiophene ring-substituted α-(alkylaminopropionyl)-thiophenes and the method for preparing the same FERRER INTERNACIONAL S.A. (ES) 1988-01-12 US disclosed
EP-0248107-A1 Thiophene ring-substituted alpha-(alkylaminopropionyl)-thiophene derivatives, a process for preparing them and pharmacuetical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1987-12-09 EP disclosed
EP-0196001-A1 Thiophene ring-substituted alpha-(alkylaminopropionyl)-thiophene derivatives, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1986-10-01 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-20170173016-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, PRNP, PSEN2 F2 4226/4885DAO 1838/4885GSK3B 154/4885
US-20150224105-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE TAUOPATHIES MAPT, SYNJ1, PARK7 F2 1815/4885DAO 2911/4885GSK3B 422/4885

“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.