SCHEMBL5585688

SCHEMBL5585688

CN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cs1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 1/20 0.39
ENPP2 Q13822 4/20 0.39
MRE11 P49959 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
SCHEMBL5585653 0.99 RAB9A (0.41) RAB9AMEN1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL5585772 0.98 RAB9A (0.40) RAB9AMEN1LMNAMAPTKMT2A
Sulfuric Acid SCHEMBL5585543 0.96 ENPP2 (0.41) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL5585469 0.96 ENPP2 (0.41) RAB9AMEN1LMNAMAPTKMT2A
Tromethamine SCHEMBL5585681 0.94 ENPP2 (0.38) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL5585684 0.91 PTGS2 (0.39) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL5585757 0.89 CPB1 (0.39) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL6000111 0.89 CPB1 (0.39) RAB9AMEN1LMNAMAPTKMT2A
SCHEMBL5585283 0.89 MAPT (0.51) RAB9AMEN1LMNAMAPTKMT2A
Lysine SCHEMBL5585809 0.89 MRE11 (0.34) RAB9AMEN1LMNAMAPTKMT2A

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 RAB9A 1736/4885MEN1 3299/4885LMNA 4756/4885

“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.