Sugi Predict

Sugi Predict / Compounds / SCHEMBL2776697

SCHEMBL2776697

SCHEMBL2776697

CCc1ccc2c(c1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]2[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL2777326 0.88 ALDH1A1 (0.49) MAPTALDH1A1KDM4EKMT2APOLB
SCHEMBL2245347 0.82 CA12 (0.50) SIGMAR1MAPTALDH1A1KDM4EKMT2A
SCHEMBL2776923 0.82 TRPC5 (0.46) TRPC5MAPTALDH1A1KDM4EKMT2A
SCHEMBL2245557 0.80 CA12 (0.50) SIGMAR1MAPTALDH1A1KDM4EKMT2A
SCHEMBL13085951 0.80 MAPT (0.41) TRPC5SIGMAR1MAPTALDH1A1KDM4E
SCHEMBL2245334 0.80 L3MBTL1 (0.38) SIGMAR1MAPTALDH1A1KDM4EKMT2A
SCHEMBL2243664 0.77 CA12 (0.49) SIGMAR1MAPTALDH1A1KDM4EKMT2A
SCHEMBL2243653 0.77 CA12 (0.39) SIGMAR1MAPTALDH1A1KDM4EKMT2A
SCHEMBL2247230 0.77 CA12 (0.39) SIGMAR1MAPTALDH1A1KDM4EKMT2A
SCHEMBL2243354 0.75 CA12 (0.41) SIGMAR1MAPTALDH1A1KDM4EKMT2A

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-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-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 TRPC5 42/4885SIGMAR1 1192/4885MAPT 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.