SCHEMBL5585757

SCHEMBL5585757

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.39
MRE11 P49959 1/20 0.39
RAB9A P51151 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GCGR P47871 3/20 0.37
GIPR P48546 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
PIM3 Q86V86 1/20 0.37
CSNK2A1 P68400 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
SCHEMBL6000111 1.00 CPB1 (0.39) CPB1MRE11RAB9AMEN1KMT2A
SCHEMBL5585253 0.92 CA1 (0.41) CPB1MRE11RAB9AMEN1KMT2A
SCHEMBL5585395 0.90 ALDH1A1 (0.41) CPB1MEN1KMT2ATRPA1ALDH1A1
SCHEMBL5585653 0.90 RAB9A (0.41) MRE11RAB9AMEN1KMT2AGAA
SCHEMBL5999050 0.90 HDAC3 (0.48) MRE11RAB9AMEN1KMT2ATRPA1
SCHEMBL5585688 0.89 RAB9A (0.40) MRE11RAB9AMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL5585772 0.89 RAB9A (0.40) MRE11RAB9AMEN1KMT2AGAA
SCHEMBL5585392 0.89 RXRA (0.42) CPB1MRE11RAB9AMEN1KMT2A
SCHEMBL6000638 0.89 RXRA (0.42) CPB1MRE11RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5585448 0.88 RXRA (0.41) CPB1MRE11RAB9AMEN1KMT2A

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 CPB1 1778/4885MRE11 4833/4885RAB9A 1736/4885

“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.