SCHEMBL1011987

SCHEMBL1011987

O=S(=O)(O)CCC1CNCCN1CCO.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL657861 0.92 CA1 (0.40) CA1CA2CA4CA9TAAR1
SCHEMBL651045 0.92 CA1 (0.39) CA1CA2CA4CA9TAAR1
SCHEMBL62392 0.86 CA1 (0.35) CA1CA2CA4CA9TAAR1
SCHEMBL5032600 0.84 CA1 (0.38) CA1CA2CA4CA9TAAR1
SCHEMBL83681 0.84 CA1 (0.44) CA1CA2CA4CA9TAAR1
SCHEMBL1767625 0.83 KDM4E (0.39) CA1CA2CA4CA9
SCHEMBL182978 0.83 CA1 (0.35) CA1CA2CA4CA9
SCHEMBL308664 0.81 CA1 (0.37) CA1CA2CA4CA9
Sulfuric Acid SCHEMBL28700686 0.81 CA1 (0.46) CA1CA2CA4CA9TAAR1
SCHEMBL1007938 0.79 ALDH1A1 (0.37) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818334-B1 ANTI-TRYPANOSOMIASIS AGENT IHARA MASATAKA (JP) 2011-11-02 EP disclosed
US-20110021450-A1 MEDICINAL COMPOSITION CONTAINING BENZO[A]PHENOXAZINE COMPOUND AS THE ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTOZOAL DISEASE HOSHI UNIVERSITY (JP) 2011-01-27 US disclosed
EP-2269996-A1 MEDICINAL COMPOSITION CONTAINING BENZO[A]PHENOXANTHIN COMPOUND AS THE ACTIVE INGREDIENT FOR PREVENTING OR TREATING PROTOZOAL DISEASE Hoshi University (JP) 2011-01-05 EP 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-20110021450-A1 MEDICINAL COMPOSITION CONTAINING BENZO[A]PHENOXAZINE COMPOUND AS THE ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTOZOAL DISEASE TBCA, THPO, PAOX CA1 2968/4885CA2 1023/4885CA4 3362/4885

“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.