SCHEMBL13171084

SCHEMBL13171084

Cc1cc(CCNc2ncnc3ncc(F)cc23)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.45
▸ LMNA P02545 6/20 0.42
▸ MAPT P10636 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 4/20 0.42
▸ GALR3 O60755 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NR2F2 P24468 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ TTBK1 Q5TCY1 1/20 0.40
▸ TTBK2 Q6IQ55 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ APP P05067 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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 0.90 HTT (0.47) HTTLMNAMAPTPOLBTSHR
SCHEMBL9921323 0.85 HTT (0.52) HTTLMNAMAPTPOLBTSHR
SCHEMBL9921335 0.85 HTT (0.60) HTTLMNAMAPTTSHRTP53
SCHEMBL9921325 0.80 HTT (0.55) HTTLMNAMAPTPOLBTSHR
SCHEMBL13171094 0.80 GALR3 (0.38) HTTLMNAMAPTPOLBTSHR
SCHEMBL9921415 0.80 MAPT (0.59) HTTLMNAMAPTPOLBTSHR
SCHEMBL9921422 0.78 HTT (0.50) HTTLMNAMAPTPOLBTSHR
SCHEMBL9921326 0.77 HTT (0.44) HTTLMNAMAPTTSHRTP53
SCHEMBL9921336 0.76 HTT (0.46) HTTLMNAMAPTPOLBTSHR
SCHEMBL9921423 0.76 HTT (0.47) HTTLMNAMAPTPOLBTSHR

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 3469/4885MAPT 1917/4885

“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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