SCHEMBL5585729

SCHEMBL5585729

O=C(O)c1ccc(CN(CCC2CCCCC2)c2nc(-c3cc(Cl)ccc3OCc3ccc(C(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
PTGER1 P34995 8/20 0.40
GCGR P47871 4/20 0.39
GIPR P48546 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.37
ALOX5 P09917 1/20 0.37
SLC6A4 P31645 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5585646 0.93 PTGER1 (0.48) PTGER1MRGPRX4CYP2C9
SCHEMBL5585387 0.90 NPSR1 (0.41) RXRARXRBRXRGPTGER1ALOX5
SCHEMBL5585434 0.90 GCGR (0.44) RXRARXRBRXRGPTGER1GCGR
SCHEMBL5585777 0.82 PTGER1 (0.49) PTGER1MRGPRX4CYP2C9
SCHEMBL5585493 0.81 GCGR (0.54) RXRARXRBRXRGPTGER1GCGR
SCHEMBL5585513 0.81 NPSR1 (0.41) RXRARXRBRXRGGCGRGIPR
SCHEMBL5585563 0.80 PTGER1 (0.40) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL5585453 0.80 MRGPRX4 (0.40) PTGER1GCGRGIPRMRGPRX4CYP2C9
SCHEMBL5585435 0.79 ALOX5 (0.42) RXRARXRBRXRGPTGER1MRGPRX4
SCHEMBL5585282 0.78 GCGR (0.46) RXRARXRBRXRGPTGER1GCGR

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 RXRA 582/4885RXRB 427/4885RXRG 1013/4885

“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.