SCHEMBL13171094

SCHEMBL13171094

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.38
▸ HTT P42858 4/20 0.38
▸ LMNA P02545 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 4/20 0.36
▸ KCNK2 O95069 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL13171087 0.89 HTT (0.39) GALR3HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL9921326 0.89 HTT (0.44) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921323 0.82 HTT (0.52) GALR3HTTLMNASMN1; SMN2MAPT
SCHEMBL9921327 0.80 HTT (0.46) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL13171084 0.80 HTT (0.45) GALR3HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL9921330 0.78 HTT (0.47) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921335 0.78 HTT (0.60) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921329 0.76 HTT (0.38) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL9921325 0.75 HTT (0.55) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL13171100 0.73 HTT (0.56) GALR3HTTLMNASMN1; SMN2L3MBTL1

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 GALR3 1497/4885HTT 4078/4885LMNA 3469/4885

“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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