SCHEMBL5585783

SCHEMBL5585783

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2cccc(OCc3ccc(C4CCCCC4)cc3)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LTC4S Q16873 1/20 0.39
CPT2 P23786 2/20 0.39
CPT1A P50416 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STAT3 P40763 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5585457 0.91 FFAR1 (0.44) MRGPRX4PTGESALOX5CPT2CPT1A
SCHEMBL5585668 0.90 SMN1; SMN2 (0.43) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585524 0.90 FFAR1 (0.44) MRGPRX4PTGESALOX5CPT2CPT1A
SCHEMBL5585812 0.89 MEN1 (0.40) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585540 0.89 MRGPRX4 (0.40) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585490 0.87 KMT2A (0.41) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585226 0.86 MRGPRX4 (0.39) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585491 0.83 MEN1 (0.40) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585522 0.83 FFAR1 (0.42) ALOX5CPT2CPT1ASMN1; SMN2HRH3
SCHEMBL5585573 0.80 CSNK2A1 (0.61) CSNK2A1SMN1; SMN2NPC1RAB9AMEN1

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 MRGPRX4 748/4885CSNK2A1 124/4885PTGES 4468/4885

“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.