SCHEMBL19082958

SCHEMBL19082958

OCc1cnc(CNc2ncnc3[nH]ccc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
TTBK1 Q5TCY1 8/20 0.50
TTBK2 Q6IQ55 8/20 0.50
PTK2 Q05397 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HPGDS O60760 1/20 0.43
BTK Q06187 2/20 0.42

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
SCHEMBL19082950 0.80 TSHR (0.39) HDAC6
SCHEMBL17017326 0.79 CYP1A2 (0.59) TTBK1PTK2MKNK1HPGDS
SCHEMBL17017339 0.76 RECQL (0.36)
SCHEMBL4354437 0.74 JAK2 (0.68) HDAC6TTBK1TTBK2BTK
SCHEMBL24804993 0.72 HDAC6 (0.66) HDAC6TTBK1TTBK2PTK2
SCHEMBL22346237 0.72 HDAC6 (0.62) HDAC6TTBK1TTBK2PTK2HPGDS
SCHEMBL28762132 0.72 TTBK1 (0.56) HDAC6TTBK1TTBK2MKNK1MKNK2
SCHEMBL20119913 0.72 POLB (0.66) HDAC6
SCHEMBL191323 0.72 HDAC6 (0.46) HDAC6TTBK1TTBK2PTK2MKNK1
SCHEMBL28103460 0.72 TTBK1 (0.52) HDAC6TTBK1TTBK2PTK2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 HDAC6 577/4885TTBK1 635/4885TTBK2 400/4885

“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.