SCHEMBL16379188

SCHEMBL16379188

Cc1scc2c(C(=O)OC(C)(C)C)nn(-c3ccc(O)cc3)c(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 13/20 0.60
▸ MAPT P10636 11/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ALOX12 P18054 3/20 0.51
▸ APP P05067 7/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ APAF1 O14727 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46

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
SCHEMBL15047083 0.88 ADORA1 (0.74) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379215 0.86 ADORA1 (0.80) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379147 0.85 ADORA1 (0.52) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379121 0.85 MAPT (0.48) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379166 0.85 MAPT (0.48) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379119 0.84 ADORA1 (0.49) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379200 0.84 ADORA1 (0.49) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379192 0.84 MAPT (0.59) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379214 0.81 ADORA1 (0.49) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379148 0.80 ADORA1 (0.55) ADORA1MAPTALDH1A1KDM4EALOX12

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-20150004100-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY GE HEALTHCARE LIMITED (GB) 2015-01-01 — — 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-20150004100-A1 HETEROCYCLIC COMPOUNDS AS IMAGING PROBES OF TAU PATHOLOGY MAPT, NAT1, APP ADORA1 438/4885MAPT 1/4885ALDH1A1 738/4885

“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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