SCHEMBL5585452

SCHEMBL5585452

COC(=O)c1ccc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
RAB9A P51151 5/20 0.62
ROCK1 Q13464 1/20 0.57
NPC1 O15118 2/20 0.56
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GFER P55789 1/20 0.54
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.50
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL16211806 0.85 MEN1 (0.56) MAPTRAB9AROCK1NPC1LMNA
SCHEMBL16211539 0.85 HDAC3 (0.64) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL5585494 0.80 MAPT (0.57) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL211587 0.79 ALDH1A1 (0.69) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL15997316 0.77 CA1 (0.68) MAPTLMNAMEN1KMT2APOLB
SCHEMBL14601432 0.76 RAB9A (0.57) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL10965397 0.76 RAB9A (0.77) MAPTRAB9AROCK1NPC1LMNA
Bromide SCHEMBL5585456 0.76 MAPT (0.56) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL24590300 0.74 MAPT (0.60) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL3021443 0.74 POLB (0.73) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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 MAPT 4536/4885RAB9A 1736/4885ROCK1 1290/4885

“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.