SCHEMBL13171100

SCHEMBL13171100

Cc1ccc(CCNc2ncnc3ncc(Cl)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.56
▸ GALR3 O60755 1/20 0.56
▸ NR2F2 P24468 1/20 0.52
▸ TTBK1 Q5TCY1 1/20 0.49
▸ TTBK2 Q6IQ55 1/20 0.49
▸ TP53 P04637 5/20 0.48
▸ LMNA P02545 6/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 5/20 0.47
▸ SLC29A1 Q99808 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL9921323 0.85 HTT (0.52) HTTGALR3NR2F2TTBK1TTBK2
SCHEMBL9921333 0.84 HTT (0.53) HTTNR2F2TTBK1TTBK2LMNA
SCHEMBL19160676 0.81 HTT (0.85) HTTGALR3NR2F2TTBK1TTBK2
SCHEMBL9921335 0.80 HTT (0.60) HTTNR2F2TTBK1TTBK2TP53
SCHEMBL9921444 0.77 EGFR (0.45) HTTGALR3TP53LMNATSHR
SCHEMBL13171084 0.75 HTT (0.45) HTTGALR3NR2F2TTBK1TTBK2
SCHEMBL9921330 0.73 HTT (0.47) HTTNR2F2TTBK1TTBK2LMNA
SCHEMBL13171094 0.73 GALR3 (0.38) HTTGALR3TP53LMNATSHR
SCHEMBL9921325 0.72 HTT (0.55) HTTNR2F2TTBK1TTBK2LMNA
SCHEMBL9921415 0.72 MAPT (0.59) HTTGALR3NR2F2TP53LMNA

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 4078/4885GALR3 1497/4885NR2F2 2764/4885

“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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