SCHEMBL5585787

SCHEMBL5585787

CN(Cc1ccc(C(=O)OS(C)(=O)=O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 2/20 0.38
ENPP2 Q13822 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MRE11 P49959 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL5585530 0.91 LMNA (0.42) HRH3FFAR1MRE11KMT2AMEN1
SCHEMBL5585724 0.91 MRE11 (0.38) ENPP2MRE11GCGRCPB1
SCHEMBL5585781 0.90 HRH3 (0.41) HRH3FFAR1ENPP2ADAMTS4MMP2
Sulfuric Acid SCHEMBL6380968 0.89 HRH3 (0.42) HRH3FFAR1ADAMTS4MMP2MMP13
SCHEMBL5585910 0.89 KMT2A (0.41) HRH3FFAR1ENPP2MMP13KMT2A
SCHEMBL5999838 0.89 HRH3 (0.44) HRH3FFAR1KMT2AMEN1HTT
SCHEMBL5585466 0.89 HRH3 (0.44) HRH3FFAR1KMT2AMEN1HTT
SCHEMBL5585799 0.88 HRH3 (0.44) HRH3FFAR1KMT2AMEN1HTT
SCHEMBL5585509 0.88 HRH3 (0.44) HRH3FFAR1KMT2AMEN1HTT
Hydrochloric Acid SCHEMBL5585627 0.88 HRH3 (0.44) HRH3FFAR1KMT2AMEN1HTT

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 3 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-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 868/4885ENPP2 1026/4885

“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.