SCHEMBL2246368

SCHEMBL2246368

CC1Cc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.58
PNMT P11086 5/20 0.50
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
HTR1A P08908 2/20 0.46
DRD1 P21728 1/20 0.46
TDP2 O95551 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL23174869 0.84 DRD2 (0.46) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL1808330 0.81 PTPRC (0.47) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL15617648 0.78 PNMT (0.45) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL8247179 0.77 PNMT (0.57) PNMTADRA2AADRA2BADRA2CPTPRC
SCHEMBL17541405 0.76 HTR1A (0.54) ACHEHTR1ADRD1ALDH1A1CYP3A4
SCHEMBL9592880 0.76 ACHE (0.60) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL11079796 0.75 PNMT (0.42) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL17460774 0.74 PTPRC (0.47) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL29893908 0.74 ACHE (1.00) ACHE
SCHEMBL11658683 0.73 ACHE (0.47) ACHEALDH1A1CYP3A4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US claimed
CN-101356149-A Indene derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2009-01-28 CN claimed
EP-1960343-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-08-27 EP claimed
WO-2007054257-A2 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 WO claimed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
EP-2202222-A2 Indene derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-06-30 EP disclosed
US-5643959-A Method for treating patients with precancerous lesions by administering substituted sulfonyl indenyl acetic and propionic acids and esters thereof CELL PATHWAYS, INC. (US) 1997-07-01 US disclosed
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 WO disclosed
EP-0508586-B1 Substituted indenyl compounds FGN INC (US) 1995-05-31 EP disclosed
US-5401774-A Treatment of potentially cancerous growths UNIVERSITY OF ARIZONA (US) 1995-03-28 US disclosed
EP-0508586-A1 Substituted indenyl compounds FGN, INC. (US) 1992-10-14 EP disclosed
EP-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP 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-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HTR6, HTR5A, HTR1A ACHE 416/4885PNMT 140/4885ADRA2A 25/4885

“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.