SCHEMBL13043465

SCHEMBL13043465

CSOC(=O)c1ccccc1-c1c2ccc(=[N+]3CCCC3)cc-2oc2cc(N3CCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ CFTR P13569 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ GOPC Q9HD26 1/20 0.45
▸ PRKDC P78527 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12324196 0.89 ABCB1 (0.44) ABCB1USP2CFTRPAX8ATM
SCHEMBL19846795 0.88 ABCB1 (0.53) ABCB1USP2CFTRPAX8ATM
SCHEMBL26505115 0.86 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL20281372 0.83 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL20362560 0.83 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL15999601 0.79 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL21648602 0.79 AR (0.35) ABCB1PRKDCKDM4EMAPTNPSR1
SCHEMBL21165046 0.78 USP2 (0.35) ABCB1USP2CFTRPAX8ATM
SCHEMBL21648600 0.78 MEN1 (0.43) USP2ATMPRKDCRECQL
Hydrochloric Acid SCHEMBL15992984 0.78 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7704284-B2 Xanthene dyes CIBA CORPORATION (US) 2010-04-27 — — US disclosed
US-20090265866-A1 Xanthene Dyes CIBA CORP. 2009-10-29 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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 (2 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-20090265866-A1 Xanthene Dyes KRT18, OR10J3, H1-10 ABCB1 1892/4885USP2 3475/4885CFTR 2226/4885
US-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA ABCB1 2899/4885USP2 2542/4885CFTR 3556/4885

“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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