SCHEMBL5585550

SCHEMBL5585550

O=C(O)c1ccc(N(CC2CCCCC2)c2nc(-c3nc4ccc(OCc5ccc(Cl)c(Cl)c5)cc4o3)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
GCGR P47871 3/20 0.37
GIPR P48546 3/20 0.37
MEN1 O00255 1/20 0.36
SLC26A4 O43511 1/20 0.36
KMT2A Q03164 1/20 0.36
F2RL3 Q96RI0 4/20 0.36
AURKB Q96GD4 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MDH2 P40926 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
VDR P11473 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
ALKBH1 Q13686 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL5585511 0.93 MAOB (0.41) MAOBGCGRGIPRMEN1SLC26A4
SCHEMBL5585479 0.90 MAOB (0.41) MAOBGCGRGIPRMEN1SLC26A4
SCHEMBL5585713 0.90 LPAR1 (0.37) MAOBGCGRGIPRF2RL3PTGES
SCHEMBL5585391 0.88 NR4A2 (0.42) MAOBGCGRGIPRF2RL3
SCHEMBL5585379 0.88 F2RL3 (0.38) MEN1KMT2AF2RL3PTGESALOX5
SCHEMBL5999790 0.86 MAOB (0.42) MAOBMEN1SLC26A4KMT2AF2RL3
SCHEMBL5585547 0.83 MAOB (0.45) MAOBMEN1SLC26A4KMT2AF2RL3
SCHEMBL5585505 0.82 SRD5A2 (0.38) GCGRGIPRF2RL3PTGESALOX5
SCHEMBL5585673 0.81 F2RL3 (0.41) MAOBMEN1KMT2AF2RL3PTGES
Hydrochloric Acid SCHEMBL5585747 0.78 CHEK2 (0.42) GCGRGIPRMRGPRX4CYP2D6MDH2

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 MAOB 1036/4885GCGR 317/4885GIPR 195/4885

“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.