SCHEMBL5969938

SCHEMBL5969938

CC(=O)NC1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.45
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRIN2B Q13224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PAX8 Q06710 1/20 0.40
MITF O75030 1/20 0.39
GMNN O75496 1/20 0.39
SLC22A3 O75751 1/20 0.39
LMNA P02545 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
SCHEMBL6263299 0.83 KMT2A (0.45) KMT2AMEN1HSP90AA1CHRNB4CHRNA3
SCHEMBL4872932 0.83 DRD2 (0.52) KMT2AMEN1HSP90AA1CHRNB4CHRNA3
SCHEMBL10155714 0.83 HSP90AA1 (0.44) KMT2AMEN1HSP90AA1CHRNB4CHRNA3
SCHEMBL4710669 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL28420468 0.79 PAX8 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8789250 0.78 TAS1R3 (0.59) KMT2AMEN1LMNATUBB4ATUBB
SCHEMBL2467904 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8504200 0.77 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL5969864 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2464444 0.77 CA12 (0.52) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP claimed
EP-0738149-B1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 2006-11-29 EP disclosed
WO-2005084205-A2 DIAMINO THIAZOLOINDAN DERIVATIVES AND THEIR USE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-09-15 WO disclosed
US-20050197365-A1 Diamino thiazoloindan derivatives and their use TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-09-08 US disclosed
US-6528685-B2 Such as (R)-N-(2-acetamido)-1-aminoindan for treatment of Parkinson's disease, dementia, epilepsy, convulsions, or seizures TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-03-04 US disclosed
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES COHEN SASSON (IL) 2002-06-06 US disclosed
US-6271263-B1 Compositions containing and methods of using 1-aminoindan and derivatives thereof and process for preparing optically active 1-aminoindan derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2001-08-07 US disclosed
US-5994408-A THERAPY FOR PARKINSON'S DISEASE; ANTICONVULSANT TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-11-30 US disclosed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
US-5914349-A ANTICONVULSANTS, EPILEPSY AND COGNITIVE AGENTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-06-22 US disclosed
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5877218-A PARKINSON'S DISEASE; ANTIEPILEPSY AGENTS; ANTICONVULSANTS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5877221-A TREATING DEMENTIA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-02 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 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 (2 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-20050197365-A1 Diamino thiazoloindan derivatives and their use RTN3, RTN4, DRD4 CA12 4642/4885CA1 4270/4885CA2 4343/4885
US-20020068839-A1 COMPOSITIONS CONTAINING AND METHODS OF USING 1-AMINOINDAN AND DERIVATIVES THEREOF AND PROCESS FOR PREPARING OPTICALLY ACTIVE 1-AMINOINDAN DERIVATIVES PARK7, GAP43, PSEN1 CA12 3691/4885CA1 358/4885CA2 1546/4885

“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.