SCHEMBL2129100

SCHEMBL2129100

Cc1ccc2nc(Cl)n[n+]([O-])c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
NQO2 P16083 1/20 0.36
CYP1A2 P05177 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
NCK1 P16333 1/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
CBFB Q13951 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL29864664 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNANQO2
SCHEMBL5460331 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTLMNANQO2
SCHEMBL782083 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTKMT2ABACE1
SCHEMBL10953240 0.81 AMY1A (0.35) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL25074688 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNANQO2
SCHEMBL780542 0.79 HTT (0.44) ALDH1A1KDM4ELMNACYP1A2RAB9A
SCHEMBL5455267 0.79 KDM4E (0.38) ALDH1A1KDM4EMAPTLMNANQO2
SCHEMBL5461503 0.79 NCK1 (0.41) ALDH1A1KDM4EMAPTNQO2CYP1A2
SCHEMBL29864683 0.79 HTT (0.44) ALDH1A1KDM4ELMNACYP1A2RAB9A
SCHEMBL29864601 0.79 HTT (0.44) ALDH1A1KDM4ELMNACYP1A2RAB9A

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 25 patents — showing the first 20. 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
CN-114901646-B Benzotriazine bisoxides and pharmaceutical compositions thereof 浙江瑞臻医药有限公司 2024-06-04 CN disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 WO disclosed
CN-114901646-A Benzotriazine double oxide and pharmaceutical composition thereof 杭州瑞臻医药有限公司 2022-08-12 CN disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-04-26 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-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-1723125-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES Auckland Uniservices Limited (NZ) 2006-11-22 EP disclosed
WO-2005082867-A1 NOVEL 1,2,4-BENZOTRIAZINE-1,4-DIOXIDES AUCKLAND UNISERVICES LIMITED (NZ) 2005-09-09 WO 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
US-4289771-A BACTERICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 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 (4 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-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 ALDH1A1 1785/4885KDM4E 1273/4885MAPT 1698/4885
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.