SCHEMBL2823745

SCHEMBL2823745

Fc1ccc(C[Zn]Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DAO P14920 4/20 0.37
RIPK1 Q13546 1/20 0.34
KDM1A O60341 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ACHE P22303 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
SCHEMBL2215326 0.76 HTT (0.42) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL1300421 0.76 HTT (0.42) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL29489387 0.75 HTT (0.45) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL1503157 0.75 HTT (0.45) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL12509342 0.74 MAOB (0.49) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL16105820 0.74 DAO (0.55) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL3299911 0.74 CYP17A1 (0.52) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL7974386 0.73 DAO (0.42) HTTALDH1A1MAOBMAOACYP17A1
SCHEMBL852178 0.72 IDO1 (0.48) MAOB
SCHEMBL6203927 0.72 HTT (0.47) HTTALDH1A1MAOBMAOACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2021-01-07 US disclosed
US-10815213-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2020-10-27 US disclosed
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2019-07-04 US disclosed
US-10266513-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2019-04-23 US disclosed
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2017-10-05 US disclosed
EP-2914586-B1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER (US) 2017-04-05 EP disclosed
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER (US) 2015-10-15 US disclosed
EP-2914586-A1 BRUTON'S TYROSINE KINASE INHIBITORS Pfizer Inc. (US) 2015-09-09 EP disclosed
WO-2014068527-A1 BRUTON'S TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2014-05-08 WO disclosed
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2007735-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS Glaxo Group Limited (GB) 2008-12-31 EP disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 US disclosed
WO-2007122156-A9 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-24 WO disclosed
WO-2007122156-A1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-11-01 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 (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-10266513-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN HTT 3429/4885ALDH1A1 4293/4885MAOB 1398/4885
US-20150291554-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN HTT 3745/4885ALDH1A1 4570/4885MAOB 1212/4885
US-10815213-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN HTT 4223/4885ALDH1A1 4142/4885MAOB 1005/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN HTT 4223/4885ALDH1A1 4142/4885MAOB 1005/4885
US-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 HTT 1906/4885ALDH1A1 292/4885MAOB 164/4885
US-20170283393-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN HTT 3429/4885ALDH1A1 4293/4885MAOB 1398/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HTT 943/4885ALDH1A1 1188/4885MAOB 696/4885
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, SYK HTT 4279/4885ALDH1A1 4090/4885MAOB 956/4885

“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.