SCHEMBL9921423

SCHEMBL9921423

Fc1cnc2ncnc(NCCc3ccc(OC(F)(F)F)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.47
▸ MAPT P10636 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ ABL1 P00519 5/20 0.41
▸ BCR P11274 5/20 0.41
▸ SLC29A1 Q99808 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ EGFR P00533 1/20 0.38
▸ APP P05067 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR2F2 P24468 1/20 0.38

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
SCHEMBL9921415 0.86 MAPT (0.59) HTTMAPTPOLBLMNATSHR
SCHEMBL9921422 0.85 HTT (0.50) HTTMAPTPOLBSLC29A1LMNA
SCHEMBL9921425 0.83 HTT (0.69) HTTMAPTPOLBLMNAMAPK1
SCHEMBL9921323 0.82 HTT (0.52) HTTMAPTPOLBSLC29A1LMNA
SCHEMBL9921325 0.82 HTT (0.55) HTTMAPTPOLBSLC29A1LMNA
SCHEMBL9921335 0.82 HTT (0.60) HTTMAPTSLC29A1LMNATSHR
SCHEMBL9921330 0.78 HTT (0.47) HTTMAPTPOLBSLC29A1LMNA
SCHEMBL13171084 0.76 HTT (0.45) HTTMAPTPOLBSLC29A1LMNA
SCHEMBL9921329 0.76 HTT (0.38) HTTMAPTPOLBSLC29A1LMNA
SCHEMBL9921327 0.75 HTT (0.46) HTTMAPTPOLBABL1SLC29A1

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 4078/4885MAPT 1917/4885POLB 4235/4885

“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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