SCHEMBL5585653

SCHEMBL5585653

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.40
ENPP2 Q13822 4/20 0.39
MRE11 P49959 1/20 0.39

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
Hydrochloric Acid SCHEMBL5585772 0.99 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL5585688 0.99 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MEN1LMNA
Sulfuric Acid SCHEMBL5585543 0.97 ENPP2 (0.41) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL5585469 0.97 ENPP2 (0.41) RAB9ANPC1SMN1; SMN2MEN1LMNA
Tromethamine SCHEMBL5585681 0.95 ENPP2 (0.38) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL5585684 0.92 PTGS2 (0.39) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL5585757 0.90 CPB1 (0.39) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL6000111 0.90 CPB1 (0.39) RAB9ANPC1SMN1; SMN2MEN1LMNA
SCHEMBL5585283 0.90 MAPT (0.51) RAB9ANPC1SMN1; SMN2MEN1LMNA
Lysine SCHEMBL5585809 0.89 MRE11 (0.34) RAB9ANPC1SMN1; SMN2MEN1LMNA

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 RAB9A 1736/4885NPC1 1217/4885SMN1; SMN2 4461/4885

“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.