SCHEMBL5585518

SCHEMBL5585518

O=C(O)c1ccc(N(CCC2CCCCC2)c2nc(-c3cc(F)ccc3OCc3ccccc3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.42
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
FEN1 P39748 2/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
GCGR P47871 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5585765 0.91 PTGER1 (0.37) PTGER1RXRARXRBRXRGGCGR
SCHEMBL5585777 0.91 PTGER1 (0.49) PTGER1MRGPRX4CYP2C9
SCHEMBL5585517 0.90 MAPT (0.48) PTGER1GCGRMAPTSMN1; SMN2
SCHEMBL5585434 0.85 GCGR (0.44) PTGER1RXRARXRBRXRGGCGR
SCHEMBL5585639 0.84 PTGER1 (0.50) PTGER1CYP2C9
SCHEMBL5585513 0.84 NPSR1 (0.41) RXRARXRBRXRGGCGRMAPT
SCHEMBL5585563 0.83 PTGER1 (0.40) PTGER1RXRARXRBRXRGMRGPRX4
SCHEMBL5585429 0.83 PTGER1 (0.52) PTGER1CYP2C9
SCHEMBL5585453 0.83 MRGPRX4 (0.40) PTGER1GCGRMRGPRX4SMN1; SMN2CYP2C9
SCHEMBL5585646 0.80 PTGER1 (0.48) PTGER1MRGPRX4CYP2C9

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 5 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-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 PTGER1 3758/4885CCNT1 432/4885CCNA2 1427/4885

“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.