SCHEMBL5585658

SCHEMBL5585658

O=C(O)c1ccc(CN(Cc2ccccc2)c2nc(-c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
CPT2 P23786 2/20 0.44
CPT1A P50416 2/20 0.44
CPT1B Q92523 1/20 0.44
CPB1 P15086 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL5585378 0.91 HRH3 (0.42) KMT2AMEN1HTTNPSR1PTGES
SCHEMBL5999838 0.89 HRH3 (0.44) KMT2AMEN1HTTNPSR1PTGES
SCHEMBL5585466 0.89 HRH3 (0.44) KMT2AMEN1HTTNPSR1PTGES
SCHEMBL5585799 0.88 HRH3 (0.44) KMT2AMEN1HTTNPSR1PTGES
Hydrochloric Acid SCHEMBL5585627 0.88 HRH3 (0.44) KMT2AMEN1HTTNPSR1PTGES
SCHEMBL5585509 0.88 HRH3 (0.44) KMT2AMEN1HTTNPSR1PTGES
SCHEMBL5585411 0.87 FFAR1 (0.44) KMT2AMEN1HTTNPSR1PTGES
Sulfuric Acid SCHEMBL6380968 0.86 HRH3 (0.42) KMT2AMEN1HTTNPSR1PTGES
SCHEMBL5585571 0.86 HRH3 (0.44) KMT2AMEN1PTGESALOX5MRGPRX4
SCHEMBL6000173 0.86 HRH3 (0.44) KMT2AMEN1PTGESALOX5MRGPRX4

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 KMT2A 2589/4885MEN1 3299/4885HTT 4527/4885

“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.