SCHEMBL5585517

SCHEMBL5585517

COc1ccc(OCc2ccccc2)c(-c2csc(N(CCC3CCCCC3)c3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.38
GCGR P47871 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
SCHEMBL5585513 0.92 NPSR1 (0.41) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL5585765 0.91 PTGER1 (0.37) MAPTSMN1; SMN2GCGRPTGER1
SCHEMBL5585777 0.90 PTGER1 (0.49) PTGER1
SCHEMBL5585518 0.90 PTGER1 (0.42) MAPTSMN1; SMN2GCGRPTGER1
SCHEMBL5585563 0.83 PTGER1 (0.40) PTGER1
SCHEMBL5585639 0.82 PTGER1 (0.50) PTGER1
SCHEMBL5585387 0.82 NPSR1 (0.41) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL5585434 0.82 GCGR (0.44) GCGRPTGER1
SCHEMBL5585429 0.82 PTGER1 (0.52) PTGER1
SCHEMBL5585453 0.82 MRGPRX4 (0.40) SMN1; SMN2KDM4EHPGDGCGRPTGER1

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 MAPT 4536/4885SMN1; SMN2 4461/4885NPSR1 369/4885

“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.