SCHEMBL12509013

SCHEMBL12509013

COc1ccc2nc(-c3ccc(NC(=O)c4cccc(N=O)c4)cc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 4/20 0.57
▸ APP P05067 1/20 0.56
▸ MAPT P10636 6/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MGAM O43451 1/20 0.51

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
SCHEMBL12509332 0.89 APP (0.59) SCDAPPMAPTRAB9ANPC1
SCHEMBL12509486 0.87 MAPT (0.61) APPMAPTRAB9ANPC1TP53
SCHEMBL1983311 0.87 MMP2 (0.69) SCDAPPMAPTRAB9ANPC1
SCHEMBL2193825 0.87 APP (0.60) SCDAPPMAPTRAB9ANPC1
SCHEMBL13391954 0.86 MAPT (0.58) SCDAPPMAPTRAB9ANPC1
SCHEMBL12509611 0.86 NPC1 (0.58) SCDAPPMAPTRAB9ANPC1
SCHEMBL2195119 0.85 MAPT (0.75) SCDAPPMAPTRAB9ANPC1
SCHEMBL16256418 0.85 MAPT (0.57) SCDAPPMAPTRAB9ANPC1
SCHEMBL1985009 0.85 SCD (0.67) SCDAPPMAPTRAB9ANPC1
SCHEMBL12509529 0.84 APP (0.55) APPMAPTRAB9ANPC1TP53

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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 — — US disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 — — 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 SCD 4644/4885APP 17/4885MAPT 1/4885

“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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