SCHEMBL5585808

SCHEMBL5585808

CCOC(=O)c1ccc(N(C)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
RAB9A P51151 8/20 0.57
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PRKCZ Q05513 1/20 0.47
MEN1 O00255 3/20 0.46
MAPK1 P28482 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
ENPP2 Q13822 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 3/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MMP13 P45452 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL5585474 0.85 LMNA (0.52) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL14601432 0.79 RAB9A (0.57) MAPTRAB9AGAAALDH1A1MEN1
SCHEMBL1756326 0.78 RAB9A (0.63) MAPTRAB9AGAASMN1; SMN2ALDH1A1
Bromide SCHEMBL5585456 0.78 MAPT (0.56) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL28362521 0.76 KCNJ1 (0.64) MAPTRAB9AGAAALDH1A1PRKCZ
SCHEMBL5585494 0.76 MAPT (0.57) MAPTRAB9AGAASMN1; SMN2ALDH1A1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.75 KCNJ1 (0.68) MAPTRAB9AALDH1A1MEN1MAPK1
SCHEMBL8057388 0.74 CA12 (0.49) MAPTRAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL7472306 0.74 MAPT (1.00) MAPTRAB9AGAASMN1; SMN2ALDH1A1
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.73 KCNJ1 (0.67) MAPTRAB9AALDH1A1MEN1MAPK1

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 4 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-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 1736/4885GAA 1727/4885

“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.