SCHEMBL5585225

SCHEMBL5585225

O=C(O)c1ccc(CN(CC2CCCCC2)c2nc(-c3nc4ccc(OCCc5ccccc5)cc4o3)cs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.39
F2RL3 Q96RI0 2/20 0.39
TLR9 Q9NR96 4/20 0.38
TLR7 Q9NYK1 2/20 0.38
PPARD Q03181 4/20 0.37
LPAR1 Q92633 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
PTGES O14684 2/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SLC2A1 P11166 1/20 0.35
KARS1 Q15046 1/20 0.35

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
SCHEMBL5585673 0.93 F2RL3 (0.41) SLC16A3F2RL3LPAR1LPAR5PTGES
SCHEMBL5585479 0.86 MAOB (0.41) F2RL3LPAR1LPAR5PTGESTAS2R14
SCHEMBL5585550 0.76 MAOB (0.41) F2RL3PTGES
SCHEMBL5585713 0.76 LPAR1 (0.37) F2RL3PPARDLPAR1LPAR5PTGES
SCHEMBL5585391 0.76 NR4A2 (0.42) F2RL3HDAC6
SCHEMBL5999790 0.75 MAOB (0.42) F2RL3PPARGPPARA
SCHEMBL5585379 0.75 F2RL3 (0.38) F2RL3PPARDPTGESTAS2R14HDAC6
SCHEMBL5585491 0.74 MEN1 (0.40) LPAR1LPAR5PTGESTAS2R14
SCHEMBL5585511 0.72 MAOB (0.41) F2RL3
SCHEMBL5585505 0.71 SRD5A2 (0.38) F2RL3TLR9PPARDPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 SLC16A3 3138/4885F2RL3 1999/4885TLR9 1619/4885

“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.