SCHEMBL9921336

SCHEMBL9921336

Fc1cnc2ncnc(NCCc3ccc4scnc4c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.46
▸ RIPK2 O43353 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ NR2F2 P24468 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ GALR3 O60755 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ USP10 Q14694 1/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ USP13 Q92995 1/20 0.38
▸ APP P05067 2/20 0.38
▸ EGFR P00533 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
SCHEMBL9921330 0.79 HTT (0.47) HTTSMN1; SMN2MAPK1MEN1STAT3
SCHEMBL9921325 0.78 HTT (0.55) HTTSMN1; SMN2MAPK1MEN1STAT3
SCHEMBL9921323 0.78 HTT (0.52) HTTSMN1; SMN2MAPK1MEN1STAT3
SCHEMBL9921335 0.78 HTT (0.60) HTTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL9921422 0.77 HTT (0.50) HTTMAPK1LMNANR2F2POLB
SCHEMBL13171084 0.76 HTT (0.45) HTTSMN1; SMN2MAPK1MEN1STAT3
SCHEMBL9921415 0.76 MAPT (0.59) HTTSMN1; SMN2MAPK1MEN1STAT3
SCHEMBL9921423 0.74 HTT (0.47) HTTSMN1; SMN2MAPK1MEN1STAT3
SCHEMBL9921345 0.73 USP10 (0.69) HTTRIPK2SMN1; SMN2LMNAUSP10
SCHEMBL9921327 0.71 HTT (0.46) HTTSMN1; SMN2MAPK1MEN1KMT2A

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 4 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
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 4078/4885RIPK2 81/4885SMN1; SMN2 3442/4885

“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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