SCHEMBL1365889

SCHEMBL1365889

O=[N+]([O-])c1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.68
▸ ALDH1A1 P00352 4/20 0.64
▸ SIRT6 Q8N6T7 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ ADRB1 P08588 1/20 0.64
▸ LMNA P02545 1/20 0.57
▸ GAA P10253 1/20 0.54
▸ AKR1C3 P42330 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6151230 0.86 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL15271381 0.86 SIRT6 (0.81) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL378458 0.82 MAPT (0.96) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL1851861 0.82 MAPT (0.89) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL223626 0.81 MAPT (1.00) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL85552 0.81 MAPT (1.00) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL6607374 0.81 MAPT (1.00) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL7048817 0.81 MAPT (0.85) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL3439980 0.80 POLB (0.73) MAPTALDH1A1SIRT6POLBADRB1
SCHEMBL85548 0.79 AKR1C3 (0.71) MAPTALDH1A1SIRT6POLBADRB1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 — — EP claimed
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACADIA PHARMACEUTICALS INC. 2006-09-28 — — US claimed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 — — WO claimed
US-6515122-B1 The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing tetracyclic benzimidazole derivative compounds. LION BIOSCIENCE AG (DE) 2003-02-04 — — US claimed
EP-1218384-A4 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-11-20 — — EP claimed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 — — EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 — — WO claimed
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 — — US disclosed
US-10035795-B1 Phenothiazine derivatives having CaM inhibitory activity KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-07-31 — — US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 — — US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 — — US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 — — US disclosed
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 — — US disclosed
US-5242919-A Antiinflammatory agents or hypotensive agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 — — US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 — — US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 — — EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 — — US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 — — US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 — — EP disclosed
US-4219551-A HYPOTENSIVE, CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1980-08-26 — — 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 (5 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-10035795-B1 Phenothiazine derivatives having CaM inhibitory activity CALM1, CAMK4, CAMK1 MAPT 655/4885ALDH1A1 4084/4885SIRT6 1823/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 MAPT 4566/4885ALDH1A1 83/4885SIRT6 856/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 MAPT 4566/4885ALDH1A1 83/4885SIRT6 856/4885
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACHE, OPRL1, OPRK1 MAPT 2600/4885ALDH1A1 634/4885SIRT6 2791/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 MAPT 4566/4885ALDH1A1 83/4885SIRT6 856/4885

“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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