SCHEMBL5585491

SCHEMBL5585491

O=C(O)c1ccc(CN(CC2CCCCC2)c2nc(-c3cccc(OCc4ccc(C5CCCCC5)cc4)c3)cs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PTGES O14684 3/20 0.39
CPT2 P23786 4/20 0.39
CPT1A P50416 4/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
STAT3 P40763 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
CPB1 P15086 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ALOX5 P09917 1/20 0.37
LTC4S Q16873 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 0.89 MRGPRX4 (0.39) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585490 0.88 KMT2A (0.41) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585812 0.86 MEN1 (0.40) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585668 0.85 SMN1; SMN2 (0.43) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585540 0.85 MRGPRX4 (0.40) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585658 0.84 KMT2A (0.46) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585783 0.83 MRGPRX4 (0.39) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585378 0.81 HRH3 (0.42) MEN1KMT2ANPSR1MRGPRX4PTGES
SCHEMBL5585673 0.81 F2RL3 (0.41) MEN1KMT2APTGESLPAR1LPAR5
SCHEMBL5585573 0.80 CSNK2A1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CSNK2A1

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 MEN1 3299/4885KMT2A 2589/4885NPSR1 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.