SCHEMBL13295294

SCHEMBL13295294

CC[N+](CC)=c1ccc2nc3ccc(N4CCN(CCSC)CC4)cc3oc-2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ APP P05067 5/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ DRD3 P35462 5/20 0.32
▸ POLB P06746 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ DRD1 P21728 2/20 0.32
▸ DRD4 P21917 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14542762 0.89 APP (0.35) KDM4EAPPCYP1A2DRD3POLB
SCHEMBL23701708 0.85 APP (0.39) KDM4EAPPCYP1A2PARP1
SCHEMBL13043492 0.85 PTGES (0.36) KDM4EPOLBLMNAMAPTGAA
SCHEMBL13295296 0.85 MAPT (0.36) APPCYP1A2POLBLMNAMAPT
SCHEMBL21678271 0.84 APP (0.38) APPCYP1A2
SCHEMBL14542763 0.82 POLB (0.33) KDM4EAPPCYP1A2DRD3POLB
SCHEMBL10061229 0.79 ALDH1A1 (0.36) APPCYP1A2POLBLMNAMAPT
SCHEMBL14542899 0.77 POLB (0.35) KDM4EPOLBLMNAMAPTMEN1
SCHEMBL14542900 0.77 MAPT (0.36) APPCYP1A2POLBLMNAMAPT
SCHEMBL23675021 0.76 APP (0.38) KDM4EAPPCYP1A2PARP1MEN1

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-7731760-B2 Oxazine disulfide dyes CIBA CORPORATION (US) 2010-06-08 — — US disclosed
US-20090229059-A1 Oxazine Disulfide Dyes CIBA CORP. 2009-09-17 — — 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-20090229059-A1 Oxazine Disulfide Dyes AOX1, CBR3, PRDX1 KDM4E 4874/4885APP 2407/4885CYP1A2 405/4885

“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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