SCHEMBL9921329

SCHEMBL9921329

Fc1cnc2ncnc(NCCc3ccc(C(F)(F)F)cc3F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ EGFR P00533 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ AURKA O14965 6/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ DAO P14920 1/20 0.35
▸ AURKB Q96GD4 7/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9921327 0.87 HTT (0.46) HTTEGFRAURKAAURKBSLC29A1
SCHEMBL9921422 0.85 HTT (0.50) HTTEGFRAURKANTRK1AURKB
SCHEMBL13171087 0.84 HTT (0.39) HTTKDM4ESLC29A1LMNAMAPK1
SCHEMBL9921326 0.77 HTT (0.44) HTTAURKALMNASMN1; SMN2MAPT
SCHEMBL9921423 0.76 HTT (0.47) HTTEGFRSLC29A1LMNAMAPK1
SCHEMBL13171094 0.76 GALR3 (0.38) HTTKDM4ELMNASMN1; SMN2MAPT
SCHEMBL9921323 0.73 HTT (0.52) HTTEGFRSLC29A1LMNAMAPK1
SCHEMBL9921325 0.73 HTT (0.55) HTTEGFRSLC29A1LMNAMAPK1
SCHEMBL9921335 0.73 HTT (0.60) HTTEGFRNTRK1SLC29A1LMNA
SCHEMBL9921333 0.73 HTT (0.53) HTTEGFRAURKAAURKBSLC29A1

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 4078/4885EGFR 2099/4885IDO1 2760/4885

“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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