SCHEMBL13171102

SCHEMBL13171102

Cc1ccc(CCNc2nc(C(F)F)nc3ncc(F)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MAPT P10636 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ TP53 P04637 4/20 0.39
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ SLC29A1 Q99808 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL9921324 0.88 PDE2A (0.44) HTTMAPT
SCHEMBL13171141 0.87 MAPT (0.42) GALR3HTTMAPTKDM4ENPSR1
SCHEMBL13171179 0.85 HTT (0.41) GALR3HTTMAPTKDM4ENPSR1
SCHEMBL9921323 0.83 HTT (0.52) GALR3HTTMAPTLMNATP53
SCHEMBL13171145 0.83 HTT (0.52) GALR3HTTMAPTKDM4ENPSR1
SCHEMBL9921332 0.76 PDE2A (0.47) HTTMAPTKDM4ELMNA
SCHEMBL9921338 0.72 PDE2A (0.45) HTT
SCHEMBL9921335 0.71 HTT (0.60) HTTMAPTLMNATP53SLC29A1
SCHEMBL9921325 0.71 HTT (0.55) HTTMAPTLMNAPOLBSLC29A1
SCHEMBL9921415 0.71 MAPT (0.59) GALR3HTTMAPTLMNATP53

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 GALR3 1497/4885HTT 4078/4885MAPT 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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