SCHEMBL301705

SCHEMBL301705

O=C(CN1CCN(CCSc2nc3cccc(C(F)(F)F)c3o2)CC1)Nc1c(C(F)(F)F)cc(O)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 15/20 0.54
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
DEGS1 O15121 1/20 0.37

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
SCHEMBL14601907 0.92 SOAT1 (0.56) SOAT1ALDH1A1MAPK1
SCHEMBL6282761 0.91 SOAT1 (0.65) SOAT1
Hydrochloric Acid SCHEMBL6654764 0.90 SOAT1 (0.64) SOAT1
SCHEMBL5622111 0.88 SOAT1 (0.50) SOAT1ALDH1A1
SCHEMBL5623843 0.87 SOAT1 (0.73) SOAT1
SCHEMBL6280584 0.84 SOAT1 (0.63) SOAT1
SCHEMBL4516627 0.84 SOAT1 (0.74) SOAT1ALDH1A1MAPK1
SCHEMBL6283739 0.84 SOAT1 (0.60) SOAT1ALDH1A1MAPK1
SCHEMBL6279260 0.84 SOAT1 (0.62) SOAT1
SCHEMBL6281681 0.84 SOAT1 (0.62) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4852416-B2 2012-01-11 JP claimed
US-7163944-B2 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2007-01-16 US claimed
US-20050165026-A1 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2005-07-28 US claimed
US-7163944-B2 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2007-01-16 US disclosed
US-7163944-B2 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2007-01-16 US disclosed
US-7163944-B2 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2007-01-16 US disclosed
US-7163944-B2 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2007-01-16 US disclosed
EP-1709016-A1 CYCLIC DIAMINE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-10-11 EP disclosed
EP-1709016-A1 CYCLIC DIAMINE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-10-11 EP disclosed
WO-2005070907-A1 CYCLIC DIAMINE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO., LTD. (JP) 2005-08-04 WO disclosed
WO-2005070907-A1 CYCLIC DIAMINE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO., LTD. (JP) 2005-08-04 WO disclosed
US-20050165026-A1 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2005-07-28 US disclosed
US-20050165026-A1 Cyclic diamine compound and pharmaceutical containing the same KOWA CO., LTD. (JP) 2005-07-28 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-20050165026-A1 Cyclic diamine compound and pharmaceutical containing the same ACAT2, ACAT1, DLAT SOAT1 23/4885ALDH1A1 197/4885MAPK1 1430/4885

“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.