SCHEMBL13171087

SCHEMBL13171087

Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.39
▸ LMNA P02545 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ KCNK2 O95069 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GALR3 O60755 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GFER P55789 1/20 0.33

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 0.89 HTT (0.46) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL13171094 0.89 GALR3 (0.38) HTTLMNASMN1; SMN2L3MBTL1KCNK2
SCHEMBL9921323 0.84 HTT (0.52) HTTLMNASMN1; SMN2KCNK2MAPT
SCHEMBL9921329 0.84 HTT (0.38) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL13171169 0.82 HTT (0.59) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921326 0.79 HTT (0.44) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921415 0.77 MAPT (0.59) HTTLMNASMN1; SMN2MAPTTP53
SCHEMBL13171084 0.75 HTT (0.45) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921335 0.75 HTT (0.60) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921325 0.75 HTT (0.55) HTTLMNASMN1; SMN2L3MBTL1MAPT

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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 — — 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 HTT 4078/4885LMNA 3469/4885SMN1; 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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