SCHEMBL5071237

SCHEMBL5071237

COc1cccc(-c2ccn[nH]c2=O)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
AMY1A P0DUB6 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL11363023 0.81 METAP2 (0.45) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL16590518 0.81 TDP1 (0.57) KMT2AMEN1SMN1; SMN2GAAGFER
SCHEMBL5067767 0.79 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL5070316 0.74 CHEK1 (0.51)
SCHEMBL16589093 0.73 ALDH1A1 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL5068244 0.73 HSD17B10 (0.48) KMT2ASMN1; SMN2ALDH1A1L3MBTL1HPGD
SCHEMBL27659947 0.72 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL16590517 0.72 TDP1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL5070317 0.72 GAA (0.48) KMT2AMEN1GAAGFERALDH1A1
SCHEMBL1961457 0.72 TDP1 (0.63) KMT2AMEN1GAAGFERALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 KMT2A 4139/4885MEN1 3946/4885SMN1; SMN2 3453/4885

“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.