SCHEMBL9921425

SCHEMBL9921425

Fc1ccc2ncnc(NCCc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.69
▸ USP10 Q14694 1/20 0.57
▸ PIK3C3 Q8NEB9 1/20 0.57
▸ USP13 Q92995 1/20 0.57
▸ NR2F2 P24468 1/20 0.51
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CCNC P24863 2/20 0.47
▸ CDK8 P49336 2/20 0.47
▸ CDKN1A P38936 1/20 0.47
▸ CDK19 Q9BWU1 1/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ APP P05067 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9921359 0.86 HTT (0.72) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL8542891 0.86 HTT (0.54) HTTNR2F2CCNCCDK8CDKN1A
SCHEMBL9921377 0.85 HTT (0.74) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL9921423 0.83 HTT (0.47) HTTNR2F2MAPK1APPEGFR
SCHEMBL9921352 0.82 HTT (0.81) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL13191858 0.82 HTT (1.00) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL9921353 0.82 HTT (0.77) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL9921342 0.80 HTT (0.73) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL9921378 0.80 HTT (0.63) HTTUSP10PIK3C3USP13NR2F2
SCHEMBL9921368 0.78 HTT (0.71) HTTUSP10PIK3C3USP13NR2F2

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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 — — US disclosed
WO-2012079079-A1 PRODUCTION OF INDUCED PLURIPOTENT STEM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-06-14 — — WO disclosed
WO-2011011522-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-27 — — 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 (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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 HTT 4078/4885USP10 1695/4885PIK3C3 186/4885

“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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