SCHEMBL5585494

SCHEMBL5585494

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
RAB9A P51151 5/20 0.57
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.46
SGK1 O00141 1/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.45
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5585520 0.85 TLR8 (0.44) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1747338 0.85 KMT2A (0.56) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1008125 0.83 MAPT (0.67) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL16211509 0.81 MAPT (0.47) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL16211938 0.81 KMT2A (0.50) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5585452 0.80 MAPT (0.62) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL15997457 0.78 CRHBP (0.62) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5585907 0.77 NR1H4 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5585808 0.76 MAPT (0.57) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL1746543 0.74 KMT2A (0.53) MAPTRAB9AMEN1KMT2AALDH1A1

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 1736/4885MEN1 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.