SCHEMBL5585435

SCHEMBL5585435

O=C(O)c1ccc(Nc2nc(-c3cc(Cl)ccc3OCc3ccc(C(F)(F)F)cc3)cs2)c(OCCC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PTGER1 P34995 8/20 0.40
MRGPRX4 Q96LA9 6/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CFTR P13569 1/20 0.37
CYP2C9 P11712 2/20 0.36
GLP1R P43220 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GALR3 O60755 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5585818 0.92 PTGER1 (0.47) PTGER1CYP2C9
SCHEMBL5585717 0.91 ALOX5 (0.45) ALOX5KDM4EALDH1A1LMNAHTT
SCHEMBL5585629 0.79 KMT2A (0.50) PTGER1CYP2C9KDM4EALDH1A1LMNA
SCHEMBL5585434 0.79 GCGR (0.44) ALOX5PTGER1MRGPRX4RXRARXRB
SCHEMBL5585729 0.79 RXRA (0.40) ALOX5PTGER1MRGPRX4RXRARXRB
SCHEMBL5585553 0.77 MRE11 (0.41) ALOX5MRGPRX4LMNA
SCHEMBL5585682 0.73 CSNK2A1 (0.62) RXRARXRBRXRGCFTRLMNA
SCHEMBL5585445 0.72 HPGDS (0.58) PTGER1CYP2C9RAB9ASMN1; SMN2
SCHEMBL5585646 0.71 PTGER1 (0.48) PTGER1MRGPRX4CYP2C9
SCHEMBL5585539 0.71 KMT2A (0.57) CYP2C9LMNAHTTSMN1; SMN2

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 ALOX5 3048/4885PTGER1 3758/4885MRGPRX4 748/4885

“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.