SCHEMBL12872564

SCHEMBL12872564

Cc1c(Br)cc(/C=N/NC(=O)CNc2cccc3ncccc23)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ GRK2 P25098 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL14082172 0.91 MAPT (0.53) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14082245 0.87 MAPT (0.48) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14082221 0.85 MAPT (0.66) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL12648547 0.82 SIRT1 (0.56) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14082234 0.76 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL12648526 0.75 MAPT (0.66) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL12648540 0.71 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14082228 0.71 GRK2 (0.63) MAPTKDM4ELMNATDP1MEN1
SCHEMBL14082218 0.71 MEN1 (0.60) MAPTKDM4ELMNASMN1; SMN2TDP1
SCHEMBL14082217 0.71 MEN1 (0.67) MAPTKDM4ELMNASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888332-B2 Hydrazide-containing CFTR inhibitor compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-02-15 — — US disclosed
US-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 — — US disclosed
US-7414037-B2 cystic fibrosis transmembrane conductance regulator protein inhibitor; 2-naphthalenylamino-[(3,5-dibromo-2,4-dihydroxyphenyl)methylene][3-[4-(3-(PEG)n-thioureido)diphenyl)-thioureido]propanedioic acid dihydrazide (MalH-(PEG)nB); cystic fibrosis with forms of male infertility, secretory diarrhea THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-19 — — 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 (1 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-20090048207-A1 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, ABCC5, SLC9A5 MAPT 4818/4885KDM4E 1931/4885LMNA 4253/4885

“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.

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