SCHEMBL5585545

SCHEMBL5585545

O=C(O)c1ccc(N(CCN2CCCCC2)c2nc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
GCGR P47871 3/20 0.42
GIPR P48546 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ATP4A P20648 4/20 0.41
ATP4B P51164 4/20 0.41
S1PR1 P21453 1/20 0.40
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ALKBH1 Q13686 1/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.38
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38

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
SCHEMBL5585721 0.86 KMT2A (0.46) GCGRGIPRKDM4EMEN1NPC1
SCHEMBL5585430 0.85 MEN1 (0.48) GCGRGIPRKDM4EMEN1NPC1
SCHEMBL5585892 0.81 NPC1 (0.49) GCGRGIPRKDM4EMEN1NPC1
SCHEMBL5585797 0.79 KDM4E (0.47) GCGRGIPRKDM4EMEN1NPC1
SCHEMBL5585686 0.76 KMT2A (0.47) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL5585511 0.74 MAOB (0.41) HRH3GCGRGIPRMEN1KMT2A
SCHEMBL6154141 0.74 GCGR (0.56) GCGRGIPRKDM4EMEN1NPC1
SCHEMBL14601451 0.74 CHEK2 (0.37) GCGRGIPRNPC1RAB9AS1PR1
SCHEMBL5585879 0.74 NPC1 (0.46) HRH3KDM4EMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL5585741 0.73 CHEK2 (0.37) GCGRGIPRNPC1RAB9AS1PR1

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 4 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-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 HRH3 840/4885GCGR 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.