SCHEMBL5460331

SCHEMBL5460331

Cc1ccc2c(c1)nc(Cl)n[n+]2[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 6/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 4/20 0.36
NQO2 P16083 1/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP2A6 P11509 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 1/20 0.31
PABPC1 P11940 1/20 0.31
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
SCHEMBL2129100 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNACYP1A2
SCHEMBL29864664 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNACYP1A2
SCHEMBL6690674 0.82 NR4A2 (0.35) ALDH1A1KDM4EMAPTLMNACYP1A2
SCHEMBL25074946 0.79 HTT (0.40) CYP1A2PABPC1
SCHEMBL5450019 0.79 MAPT (0.38) ALDH1A1KDM4EMAPTLMNACYP1A2
SCHEMBL2778218 0.79 KDM4E (0.33) KDM4EKMT2A
SCHEMBL5451536 0.79 KDM4E (0.38) ALDH1A1KDM4EMAPTCYP1A2NQO2
SCHEMBL6673662 0.79 SCN10A (0.35) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL6691836 0.79 NFKB1 (0.35) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL2777013 0.79 SMN1; SMN2 (0.34) ALDH1A1KDM4EMAPTCYP1A2KMT2A

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
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 US disclosed
US-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2007-08-16 US disclosed
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
WO-2004026846-A1 DNA-TARGETED BENZOTRIAZINE 1,4-DIOXIDES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2004-04-01 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 (3 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-20070191372-A1 Dna-targeted benzotriazine 1,4-dioxides and their use in cancer therapy HIF1AN, HIF1A, HYOU1 ALDH1A1 709/4885KDM4E 373/4885MAPT 4090/4885
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 609/4885KDM4E 1298/4885MAPT 4097/4885
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 ALDH1A1 1013/4885KDM4E 188/4885MAPT 4576/4885

“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.