SCHEMBL13221968

SCHEMBL13221968

[C-]#[N+]C(C(=O)OCC)c1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 4/20 0.37
USP10 Q14694 1/20 0.35
MAPT P10636 6/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 4/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
RAB9A P51151 2/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL3114745 0.81 KMT2A (0.42) ALDH1A1L3MBTL1USP10MAPTMAPK1
SCHEMBL13221961 0.74 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL28250511 0.74 ALDH1A1 (0.48) ALDH1A1USP10MAPTMAPK1SMN1; SMN2
SCHEMBL13221951 0.71 KMT2A (0.50) ALDH1A1USP10MAPTSMN1; SMN2KMT2A
SCHEMBL13221948 0.71 VCAM1 (0.43) ALDH1A1L3MBTL1MAPTMAPK1SMN1; SMN2
SCHEMBL12427995 0.69 L3MBTL1 (0.42) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL27987013 0.66 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL10091749 0.66 ALDH1A1 (0.77) ALDH1A1L3MBTL1MAPTSMN1; SMN2GAA
SCHEMBL3341806 0.66 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1
SCHEMBL30563095 0.66 HSD17B10 (0.50) ALDH1A1L3MBTL1MAPTSMN1; SMN2TDP1

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-20100210639-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H 1,3,6,9 TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-08-19 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-20100210639-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H 1,3,6,9 TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS CHEK1, CHEK2, PLK1 ALDH1A1 2087/4885L3MBTL1 1351/4885USP10 2941/4885

“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.