Sugi Predict

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SCHEMBL2777326

SCHEMBL2777326

Cc1ccc2c(c1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]2[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ POLB P06746 3/20 0.45
▸ KMT2A Q03164 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL2776697 0.88 TRPC5 (0.39) ALDH1A1POLBKMT2AMAPTL3MBTL1
SCHEMBL2245557 0.82 CA12 (0.50) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL2245347 0.82 CA12 (0.50) ALDH1A1POLBKMT2AMAPTKDM4E
SCHEMBL2245334 0.81 L3MBTL1 (0.38) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL2777052 0.81 ALDH1A1 (0.52) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL6674637 0.80 ALDH1A1 (0.53) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL2243664 0.79 CA12 (0.49) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL2243653 0.78 CA12 (0.39) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL2247230 0.78 CA12 (0.39) ALDH1A1POLBKMT2AHTTMAPT
SCHEMBL2243354 0.77 CA12 (0.41) ALDH1A1POLBKMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 — — US disclosed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 — — US disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 ALDH1A1 1013/4885POLB 2836/4885KMT2A 901/4885

“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.