SCHEMBL9921352

SCHEMBL9921352

Fc1ccc2ncnc(NCCc3ccc(Cl)cc3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.81
NR2F2 P24468 1/20 0.70
USP10 Q14694 1/20 0.64
PIK3C3 Q8NEB9 1/20 0.64
USP13 Q92995 1/20 0.64
CNR1 P21554 5/20 0.63
CNR2 P34972 5/20 0.63
PIK3CD O00329 1/20 0.59
PIK3R1 P27986 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TTBK1 Q5TCY1 1/20 0.56
TTBK2 Q6IQ55 1/20 0.56
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
APP P05067 1/20 0.52
MAPK1 P28482 1/20 0.52
CCNC P24863 1/20 0.52
CDKN1A P38936 1/20 0.52
CDK8 P49336 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
SCHEMBL9921421 0.93 PIK3CD (0.70) HTTNR2F2USP10PIK3C3USP13
SCHEMBL13191858 0.87 HTT (1.00) HTTNR2F2USP10PIK3C3USP13
SCHEMBL9921353 0.87 HTT (0.77) HTTNR2F2USP10PIK3C3USP13
SCHEMBL9921342 0.87 HTT (0.73) HTTNR2F2USP10PIK3C3USP13
SCHEMBL9921341 0.87 USP10 (0.84) HTTUSP10PIK3C3USP13CNR1
SCHEMBL9921374 0.86 HTT (0.65) HTTNR2F2USP10PIK3C3USP13
SCHEMBL8545770 0.86 HTT (0.82) HTTNR2F2CNR1CNR2PIK3CD
SCHEMBL7464247 0.86 HTT (0.74) HTTNR2F2CNR1CNR2PIK3CD
SCHEMBL9921377 0.85 HTT (0.74) HTTNR2F2USP10PIK3C3USP13
SCHEMBL9921359 0.84 HTT (0.72) HTTNR2F2USP10PIK3C3USP13

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 3 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
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 4078/4885NR2F2 2764/4885USP10 1695/4885

“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.