SCHEMBL2887577

SCHEMBL2887577

CCS(=O)(=O)Nc1ccc2c(c1)OC(C)(C)[C@H](O)[C@H]2NCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.48
ABCB1 P08183 3/20 0.42
IDO1 P14902 3/20 0.40
NR3C1 P04150 1/20 0.39
MAPT P10636 1/20 0.38

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
Hydrochloric Acid SCHEMBL2891525 0.99 KCNA5 (0.47) KCNA5ABCB1IDO1NR3C1MAPT
SCHEMBL2889456 0.91 KCNA5 (0.47) KCNA5ABCB1IDO1NR3C1
SCHEMBL2889459 0.91 KCNA5 (0.47) KCNA5ABCB1IDO1NR3C1
SCHEMBL2883892 0.87 KCNA5 (0.46) KCNA5ABCB1IDO1
Maleic Acid SCHEMBL2889020 0.86 KCNA5 (0.44) KCNA5ABCB1IDO1
Maleic Acid SCHEMBL2889017 0.86 KCNA5 (0.44) KCNA5ABCB1IDO1
Fumaric Acid SCHEMBL2889022 0.86 KCNA5 (0.44) KCNA5ABCB1IDO1
SCHEMBL2887607 0.86 KCNA5 (0.57) KCNA5
SCHEMBL2891532 0.85 ABCB1 (0.47) KCNA5ABCB1IDO1
SCHEMBL2899440 0.85 ABCB1 (0.47) KCNA5ABCB1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US claimed
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 KCNA5 69/4885ABCB1 978/4885IDO1 2825/4885

“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.