SCHEMBL6422103

SCHEMBL6422103

[O-][n+]1nc(NCCO)nc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA1 P30542 1/20 0.38
GBA1 P04062 2/20 0.37
SLC2A1 P11166 1/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL31097086 0.83 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL6679132 0.83 KDM4E (0.48) ALDH1A1GBA1SLC2A1POLBMEN1
SCHEMBL6673982 0.81 HTT (0.49) KDM4E
SCHEMBL6679519 0.80 KDM4E (0.40) KDM4E
SCHEMBL6365368 0.80 POLB (0.49) ALDH1A1SMN1; SMN2L3MBTL1SLC2A1POLB
SCHEMBL6675351 0.79 HRH3 (0.44) MEN1KMT2A
SCHEMBL31097089 0.77 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL2245398 0.76 CA12 (0.37) ALDH1A1SMN1; SMN2L3MBTL1GBA1POLB
SCHEMBL6426203 0.75 CA12 (0.40) ALDH1A1SMN1; SMN2L3MBTL1ADORA1GBA1
SCHEMBL6690674 0.74 NR4A2 (0.35) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents LEE WILLIAM W (US) 2005-07-14 US disclosed
US-6828321-B2 Compounds specifically radiosensitize hypoxic tumor cells SRI INTERNATIONAL 2004-12-07 US disclosed
US-20020103200-A1 1,2,4-Benzotriazine oxides as radiosensitizers and selective cytotoxic agents LEE WILLIAM W (US) 2002-08-01 US disclosed
US-6362184-B1 KILLING TUMOR CELLS SRI INTERNATIONAL 2002-03-26 US disclosed
US-5849738-A 1,2,4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents SRI INTERNATIONAL (US) 1998-12-15 US disclosed
US-5624925-A RADIOACTIVE MATERIALS FOR TUMOR DETECTION SRI INTERNATIONAL (US) 1997-04-29 US disclosed
US-5616584-A ADMINISTERING A SENSITIZER PRIOR ANTITUMOR RADIATION THERAPY SRI INTERNATIONAL (US) 1997-04-01 US disclosed
US-5175287-A Lower alkyl nitrite under reductive deamination S R I INTERNATIONAL (US) 1992-12-29 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 (2 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-20020103200-A1 1,2,4-Benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A ALDH1A1 444/4885SMN1; SMN2 3105/4885L3MBTL1 2457/4885
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A ALDH1A1 444/4885SMN1; SMN2 3105/4885L3MBTL1 2457/4885

“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.