SCHEMBL13662233

SCHEMBL13662233

C#Cc1nc2ccc(OCCCNC(=O)c3ccc4c(c3)C3(OC4=O)c4ccc(O)cc4Oc4cc(O)ccc43)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.41
▸ ITPR3 Q14573 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ FTO Q9C0B1 6/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMAD3 P84022 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MIF P14174 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL13663814 0.93 NT5E (0.41) NT5EITPR3KCNH2JAK2FTO
SCHEMBL13662234 0.91 KCNH2 (0.43) NT5EITPR3KCNH2MEN1MAPT
SCHEMBL13662226 0.84 KCNH2 (0.43) NT5EITPR3KCNH2JAK2MEN1
SCHEMBL18806530 0.82 MIF (0.41) NT5EITPR3KCNH2JAK2FTO
SCHEMBL18116829 0.82 KCNH2 (0.44) NT5EKCNH2JAK2MEN1MAPT
SCHEMBL18638158 0.78 KCNH2 (0.41) NT5EITPR3KCNH2JAK2MEN1
SCHEMBL18383372 0.78 MIF (0.44) ITPR3KCNH2JAK2FTOMEN1
SCHEMBL13637242 0.78 ITPR3 (0.33) NT5EITPR3KCNH2MMP14
SCHEMBL13662235 0.77 KCNH2 (0.40) KCNH2JAK2FTOMIFALB
SCHEMBL21549529 0.76 FTO (0.50) NT5EITPR3KCNH2JAK2FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9459249-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2016-10-04 — — US disclosed
US-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2009-10-22 — — 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-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates QPCTL, BCAT1, QPCT NT5E 1425/4885ITPR3 4034/4885KCNH2 3175/4885

“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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