SCHEMBL6676738

SCHEMBL6676738

Nc1nc2ccccc2n[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GLA P06280 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NQO2 P16083 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ MAOA P21397 1/20 0.41

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
SCHEMBL9954607 0.70 NCF1 (0.50) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL6138953 0.68 ALDH1A1 (0.39) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL1651160 0.67 PDPK1 (0.42) ALDH1A1MAPTHPGDHSD17B10KDM4E
Phenazine SCHEMBL28253056 0.66 MAPT (0.92) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL29444102 0.65 MAPT (1.00) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL503252 0.65 MAPT (1.00) ALDH1A1MAPTHPGDHSD17B10KDM4E
Phenazine SCHEMBL182948 0.64 MAPT (0.85) ALDH1A1MAPTHPGDHSD17B10KDM4E
Phenazine SCHEMBL29356959 0.63 MAPT (1.00) ALDH1A1MAPTHPGDHSD17B10KDM4E
Phenazine SCHEMBL9049 0.63 MAPT (1.00) ALDH1A1MAPTHPGDHSD17B10KDM4E
Phenazine SCHEMBL27643128 0.63 MAPT (1.00) ALDH1A1MAPTHPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 — — EP claimed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 — — US claimed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 — — EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 — — US disclosed
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same CHACONNE NSI CO., LTD. (KR) 2002-02-14 — — US disclosed
US-5449064-A On-line interface and valve for capillary electophoresis system UNIVERSITY OF KANSAS (US) 1995-09-12 — — 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-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same UTS2R, SLC14A1, URB2 ALDH1A1 2872/4885MAPT 4198/4885HPGD 486/4885
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 ALDH1A1 609/4885MAPT 4097/4885HPGD 276/4885

“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.

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