SCHEMBL6426203

SCHEMBL6426203

[O-][n+]1nc(NCCO)[n+]([O-])c2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR3A P46098 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
NLRP3 Q96P20 1/20 0.31
LMNA P02545 1/20 0.31
GBA1 P04062 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA1 P30542 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6370201 0.81 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL15008668 0.77 CA12 (0.36) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6422103 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1L3MBTL1HTR3AHRH4
SCHEMBL2248796 0.75 CA12 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL15008857 0.68 RIPK1 (0.35) CA12CA1CA2CA9CYP2D6
SCHEMBL2776570 0.68 CA12 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6086171 0.66 MEN1 (0.35) SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL15009210 0.66 RIPK1 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2776992 0.65 KAT2B (0.41) CA12CA1CA2CA9CYP2D6
SCHEMBL15008632 0.64 TAS1R3 (0.39)

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 9 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-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
EP-0413706-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1991-02-27 EP disclosed
WO-1989008647-A1 1,2,4-BENZOTRIAZINE OXIDES AS RADIOSENSITIZERS AND SELECTIVE CYTOTOXIC AGENTS SRI INTERNATIONAL (US) 1989-09-21 WO 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 CA12 2201/4885CA1 342/4885CA2 33/4885
US-20050153961-A1 1, 2, 4-benzotriazine oxides as radiosensitizers and selective cytotoxic agents HYOU1, HIF1AN, HIF1A CA12 2201/4885CA1 342/4885CA2 33/4885

“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.