SCHEMBL5585673

SCHEMBL5585673

O=C(O)c1ccc(CN(CC2CCCCC2)c2nc(-c3nc4ccc(OCc5ccccc5)cc4o3)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.41
LPAR1 Q92633 4/20 0.40
LPAR5 Q9H1C0 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 1/20 0.38
SLC16A3 O15427 1/20 0.37
PTGES O14684 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ALOX5 P09917 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
GRK5 P34947 1/20 0.36

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
SCHEMBL5585225 0.93 SLC16A3 (0.39) F2RL3LPAR1LPAR5SLC16A3PTGES
SCHEMBL5585479 0.92 MAOB (0.41) F2RL3LPAR1LPAR5KDM4EMEN1
SCHEMBL5585391 0.82 NR4A2 (0.42) F2RL3MAOBHDAC6NR4A1NR4A2
SCHEMBL5585550 0.81 MAOB (0.41) F2RL3MEN1KMT2AMAOBPTPN1
SCHEMBL5585713 0.81 LPAR1 (0.37) F2RL3LPAR1LPAR5MAOBPTGES
SCHEMBL5999790 0.81 MAOB (0.42) F2RL3MEN1KMT2AMAOB
SCHEMBL5585491 0.81 MEN1 (0.40) LPAR1LPAR5MEN1KMT2APTGES
SCHEMBL5585379 0.81 F2RL3 (0.38) F2RL3MEN1ALDH1A1KMT2APTGES
SCHEMBL5585511 0.78 MAOB (0.41) F2RL3MEN1KMT2AMAOB
SCHEMBL5585658 0.77 KMT2A (0.46) KDM4EMEN1ALDH1A1KMT2APTPN1

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 F2RL3 1999/4885LPAR1 1440/4885LPAR5 2111/4885

“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.