SCHEMBL5585540

SCHEMBL5585540

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
CSNK2A1 P68400 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
LTC4S Q16873 1/20 0.40
CPT2 P23786 2/20 0.40
CPT1A P50416 2/20 0.40
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
TSHR P16473 2/20 0.39
RXRG P48443 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STAT3 P40763 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
USP30 Q70CQ3 2/20 0.38
UCHL1 P09936 1/20 0.38
CPT1B Q92523 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL5585226 0.92 MRGPRX4 (0.39) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585668 0.91 SMN1; SMN2 (0.43) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585458 0.90 HRH3 (0.44) MRGPRX4PTGESALOX5CPT2CPT1A
SCHEMBL5585783 0.89 MRGPRX4 (0.39) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585490 0.88 KMT2A (0.41) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585812 0.86 MEN1 (0.40) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585491 0.85 MEN1 (0.40) MRGPRX4CSNK2A1PTGESALOX5LTC4S
SCHEMBL5585425 0.83 HRH3 (0.42) MRGPRX4PTGESALOX5CPT2CPT1A
SCHEMBL5585573 0.82 CSNK2A1 (0.61) CSNK2A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL5585571 0.81 HRH3 (0.44) MRGPRX4PTGESALOX5CPT2CPT1A

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.