SCHEMBL5585571

SCHEMBL5585571

CN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP13 P45452 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FFAR1 O14842 2/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL6000173 1.00 HRH3 (0.44) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5585458 0.91 HRH3 (0.44) HRH3SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5585668 0.90 SMN1; SMN2 (0.43) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5585466 0.90 HRH3 (0.44) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5999838 0.90 HRH3 (0.44) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5585457 0.89 FFAR1 (0.44) HRH3SMN1; SMN2NPC1RAB9AMMP13
SCHEMBL5585509 0.89 HRH3 (0.44) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5585799 0.89 HRH3 (0.44) HRH3SMN1; SMN2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5585627 0.89 HRH3 (0.44) HRH3SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5585524 0.89 FFAR1 (0.44) HRH3SMN1; SMN2NPC1RAB9AMMP13

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 HRH3 840/4885SMN1; SMN2 4461/4885MEN1 3299/4885

“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.