SCHEMBL9921508

SCHEMBL9921508

Clc1ccc(CNc2ncnc3ccc(Cl)cc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.74
▸ EGFR P00533 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ PDE5A O76074 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ CNR1 P21554 5/20 0.67
▸ CNR2 P34972 3/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ USP10 Q14694 1/20 0.65
▸ PIK3C3 Q8NEB9 1/20 0.65
▸ USP13 Q92995 1/20 0.65
▸ NR2F2 P24468 1/20 0.64
▸ LMNA P02545 2/20 0.62
▸ PIK3CD O00329 1/20 0.60
▸ PIK3R1 P27986 1/20 0.60
▸ CLK4 Q9HAZ1 1/20 0.59

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
SCHEMBL13192081 0.92 HTT (0.64) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL13192093 0.92 EGFR (0.67) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL9921364 0.91 LMNA (0.72) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL13192048 0.90 HTT (0.61) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL7500991 0.89 PDE5A (0.67) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL9921341 0.89 USP10 (0.84) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL9921504 0.89 EGFR (0.67) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL13192092 0.88 CNR1 (0.78) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL9921356 0.88 MEN1 (0.65) HTTEGFRSMN1; SMN2MEN1PDE5A
SCHEMBL8862837 0.86 PDE5A (0.64) HTTEGFRSMN1; SMN2MEN1PDE5A

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 4078/4885EGFR 2099/4885SMN1; 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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