SCHEMBL14350757

SCHEMBL14350757

CNc1ccc2c(-c3ccccc3C(=O)O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.61
▸ USP2 O75604 5/20 0.59
▸ ATM Q13315 2/20 0.59
▸ CFTR P13569 1/20 0.59
▸ PAX8 Q06710 1/20 0.59
▸ GOPC Q9HD26 1/20 0.59
▸ FTO Q9C0B1 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ DNASE1L3 Q13609 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ CA9 Q16790 6/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL12285238 0.90 ABCB1 (0.76) ABCB1USP2ATMCFTRPAX8
SCHEMBL10013900 0.90 ABCB1 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL10145544 0.88 USP2 (0.55) ABCB1USP2ATMCFTRPAX8
SCHEMBL16985958 0.87 ABCB1 (0.56) ABCB1USP2ATMCFTRPAX8
SCHEMBL13966918 0.86 ABCB1 (0.61) ABCB1USP2ATMCFTRPAX8
SCHEMBL12697372 0.85 ABCB1 (0.45) ABCB1USP2ATMCFTRPAX8
SCHEMBL609855 0.85 ABCB1 (0.45) ABCB1USP2ATMCFTRPAX8
SCHEMBL6056016 0.85 ABCB1 (0.45) ABCB1USP2ATMCFTRPAX8
SCHEMBL14071809 0.85 USP2 (0.59) ABCB1USP2ATMCFTRPAX8
SCHEMBL16232679 0.84 ABCB1 (0.58) ABCB1USP2ATMCFTRPAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246144-A1 A SET OF MITOCHONDRIA-TARGETED COMPOUNDS MITOTECH S.A. (LU) 2021-08-12 — — US disclosed
US-9012166-B2 Method for assaying histone methylation enzyme activity KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2015-04-21 — — US disclosed
US-20130029878-A1 Method for Assaying Histone Methylation Enzyme Activity KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2013-01-31 — — US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 — — US disclosed
US-7301025-B2 N-(2-(2-(alkyl[carbamoyl, carbonyloxy or ureido]alkyl)pyridinium)-5-(carboxy or sulfo)phenyl-8-((2-(N-alkyl[carbamoyl or ureido]alkyl)pyridinyl) xanthene ligands complexed with a metal or metal-containing moiety; magenta dye with improved heat resistance; hot melts or phase change inks XEROX CORPORATION (US) 2007-11-27 — — US disclosed
US-7176317-B2 Colorant compounds XEROX CORPORATION (US) 2007-02-13 — — 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-20130029878-A1 Method for Assaying Histone Methylation Enzyme Activity EHMT1, DOT1L, EHMT2 ABCB1 4372/4885USP2 545/4885ATM 2732/4885
US-20210246144-A1 A SET OF MITOCHONDRIA-TARGETED COMPOUNDS COQ8A, TIMM50, TIMM10 ABCB1 165/4885USP2 4585/4885ATM 2564/4885

“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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