SCHEMBL9921349

SCHEMBL9921349

O=[N+]([O-])c1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.64
▸ CNR1 P21554 5/20 0.56
▸ CNR2 P34972 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ IGF1R P08069 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ USP10 Q14694 1/20 0.53
▸ PIK3C3 Q8NEB9 1/20 0.53
▸ USP13 Q92995 1/20 0.53
▸ ALK Q9UM73 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KDR P35968 1/20 0.52

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
SCHEMBL13191864 0.93 EGFR (0.61) EGFRCNR1CNR2MAPK1NPC1
SCHEMBL18231973 0.88 HTT (0.72) EGFRCNR1CNR2MAPTHTT
SCHEMBL9921511 0.88 USP10 (0.70) EGFRCNR1CNR2ALDH1A1MAPT
SCHEMBL9921508 0.83 HTT (0.74) EGFRCNR1CNR2MAPK1ALDH1A1
SCHEMBL7473179 0.82 MAPK1 (0.58) EGFRCNR1CNR2MAPK1MAPT
SCHEMBL7472725 0.81 EGFR (0.61) EGFRMAPK1HTTUSP10PIK3C3
SCHEMBL7495957 0.81 MEN1 (0.57) EGFRCNR1CNR2MAPK1ALDH1A1
SCHEMBL9921503 0.80 PDE5A (0.69) ALDH1A1MAPT
SCHEMBL11846542 0.79 EGFR (0.61) EGFRMAPK1ALDH1A1GAAMAPT
SCHEMBL9921504 0.79 EGFR (0.67) EGFRCNR1CNR2MAPK1ALDH1A1

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 EGFR 2099/4885CNR1 3419/4885CNR2 3654/4885

“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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