SCHEMBL5585432

SCHEMBL5585432

CC(C)N(Cc1cccc(C(=O)O)c1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.51
FFAR1 O14842 2/20 0.42
PTPN1 P18031 2/20 0.42
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
CDC25B P30305 1/20 0.39
PTPN11 Q06124 1/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL5585411 0.92 FFAR1 (0.44) MRGPRX4FFAR1PTPN1ADAMTS4MMP13
SCHEMBL5585812 0.87 MEN1 (0.40) MRGPRX4FFAR1HRH3SMN1; SMN2RAB9A
SCHEMBL5585855 0.87 FFAR1 (0.41) MRGPRX4FFAR1PTPN1HRH3PTPN2
SCHEMBL5585863 0.83 FFAR1 (0.36) FFAR1PTPN1HRH3MEN1KMT2A
SCHEMBL5585457 0.82 FFAR1 (0.44) MRGPRX4FFAR1PTPN1ADAMTS4MMP13
SCHEMBL5585658 0.82 KMT2A (0.46) MRGPRX4FFAR1PTPN1HRH3SMN1; SMN2
SCHEMBL5585524 0.82 FFAR1 (0.44) MRGPRX4FFAR1PTPN1ADAMTS4MMP13
SCHEMBL5999838 0.81 HRH3 (0.44) MRGPRX4FFAR1PTPN1HRH3PTPN2
SCHEMBL5585466 0.81 HRH3 (0.44) MRGPRX4FFAR1PTPN1HRH3PTPN2
SCHEMBL5585509 0.80 HRH3 (0.44) MRGPRX4FFAR1PTPN1HRH3PTPN2

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 MRGPRX4 748/4885FFAR1 868/4885PTPN1 2/4885

“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.