SCHEMBL2908115

SCHEMBL2908115

CC1=C(CC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
TLR9 Q9NR96 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PGR P06401 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP2 O95551 1/20 0.36
PARP1 P09874 1/20 0.36
GAA P10253 1/20 0.36
PNMT P11086 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2899863 0.86 CYP1A2 (0.47) TLR9CRHBPCRHR2MEN1LMNA
SCHEMBL2905681 0.80 KMT2A (0.50) L3MBTL1MEN1LMNAMAPTRAB9A
SCHEMBL2903390 0.80 HTR6 (0.49) TLR9CRHBPCRHR2MEN1LMNA
SCHEMBL4523868 0.74 TLR9 (0.46) TLR9CRHBPCRHR2MEN1LMNA
SCHEMBL2902838 0.72 HRH3 (0.52) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL2899865 0.70 RECQL (0.45) TLR9MEN1LMNAMAPTRAB9A
SCHEMBL3804808 0.69 SIGMAR1 (0.58) CRHBPCRHR2MEN1MAPTKMT2A
SCHEMBL21305483 0.68 ALDH1A1 (0.48) L3MBTL1MEN1LMNAMAPTKMT2A
SCHEMBL19182321 0.68 CYP1A2 (0.47) L3MBTL1MEN1LMNAMAPTKMT2A
SCHEMBL29946423 0.68 ALDH1A1 (0.48) L3MBTL1MEN1LMNAMAPTKMT2A

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-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US claimed
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
US-8217041-B2 Indene derivatives, their preparation and use as medicaments Laboratories del Sr. Esteve, S.A. (ES) 2012-07-10 US 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-20090163547-A1 INDENE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
CN-101356149-A Indene derivatives, their preparation and use as medicaments ESTEVE LABOR DR (ES) 2009-01-28 CN 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 L3MBTL1 4864/4885TLR9 1800/4885CRHBP 934/4885

“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.