SCHEMBL5585458

SCHEMBL5585458

CCN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
FFAR1 O14842 2/20 0.42
GCGR P47871 8/20 0.42
GIPR P48546 8/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5585425 0.92 HRH3 (0.42) HRH3FFAR1GCGRGIPRNPC1
SCHEMBL5585571 0.91 HRH3 (0.44) HRH3FFAR1GCGRGIPRRXRA
SCHEMBL6000173 0.91 HRH3 (0.44) HRH3FFAR1GCGRGIPRRXRA
SCHEMBL5585540 0.90 MRGPRX4 (0.40) HRH3GCGRGIPRRXRARXRB
SCHEMBL5585554 0.90 FFAR4 (0.43) HRH3FFAR1GCGRGIPRCPT2
SCHEMBL5585457 0.89 FFAR1 (0.44) HRH3FFAR1RXRARXRBNPC1
SCHEMBL5585524 0.88 FFAR1 (0.44) HRH3FFAR1RXRARXRBNPC1
SCHEMBL5585466 0.87 HRH3 (0.44) HRH3FFAR1RXRARXRBNPC1
SCHEMBL5999838 0.87 HRH3 (0.44) HRH3FFAR1RXRARXRBNPC1
SCHEMBL5585799 0.87 HRH3 (0.44) HRH3FFAR1RXRARXRBNPC1

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 HRH3 840/4885FFAR1 868/4885GCGR 317/4885

“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.