SCHEMBL29310490

SCHEMBL29310490

O=c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccccc2)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.79
XDH P47989 6/20 0.68
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.54
CDC7 O00311 2/20 0.53
DBF4 Q9UBU7 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE2A O00408 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4822785 0.96 GSK3B (0.84) GSK3BXDHGAAMAPTHPGD
SCHEMBL28132422 0.90 GSK3B (0.70) GSK3BXDHGAAMAPTHPGD
SCHEMBL5381549 0.88 GSK3B (1.00) GSK3BXDHGAAMAPTHPGD
SCHEMBL23054678 0.86 GSK3B (0.65) GSK3BXDHGAAMAPTHPGD
SCHEMBL28133262 0.86 GSK3B (0.65) GSK3BXDHGAAMAPTHPGD
SCHEMBL7228356 0.86 GSK3B (0.69) GSK3BXDHHPGDPDE2A
SCHEMBL5384455 0.83 GSK3B (0.75) GSK3BXDHGAAMAPTHPGD
SCHEMBL7235282 0.83 GSK3B (0.60) GSK3BXDHGAAMAPTHPGD
SCHEMBL14935666 0.82 GSK3B (0.73) GSK3BXDHGAAMAPTHPGD
SCHEMBL6969615 0.81 XDH (0.66) GSK3BXDHHPGDSMN1; SMN2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226066-A1 CARDIOPROTECTION BY AUTOPHAGY INDUCTION AND METABOLIC REPROGRAMMING Universite Paris-Saclay (FR) 2024-07-11 US disclosed
US-20240226066-A1 CARDIOPROTECTION BY AUTOPHAGY INDUCTION AND METABOLIC REPROGRAMMING Universite Paris-Saclay (FR) 2024-07-11 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-20240226066-A1 CARDIOPROTECTION BY AUTOPHAGY INDUCTION AND METABOLIC REPROGRAMMING BECN1, SQSTM1, TFEB GSK3B 917/4885XDH 2475/4885GAA 2169/4885

“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.