SCHEMBL6629078

SCHEMBL6629078

CC(C)c1ccc([N+](=O)[O-])c(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3cccc([N+](=O)[O-])c3o2)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 13/20 0.63

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
SCHEMBL6281000 0.93 SOAT1 (0.72) SOAT1
SCHEMBL6278406 0.92 SOAT1 (0.58) SOAT1
SCHEMBL6284655 0.90 SOAT1 (0.75) SOAT1
SCHEMBL6280697 0.87 SOAT1 (0.61) SOAT1
SCHEMBL6275942 0.87 SOAT1 (0.58) SOAT1
SCHEMBL6280673 0.86 SOAT1 (0.76) SOAT1
SCHEMBL6275940 0.86 SOAT1 (0.60) SOAT1
SCHEMBL6275945 0.84 SOAT1 (0.56) SOAT1
SCHEMBL6284679 0.81 SOAT1 (0.58) SOAT1
SCHEMBL6280637 0.81 SOAT1 (0.72) SOAT1

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-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885

“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.