SCHEMBL4523868

SCHEMBL4523868

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TDP2 O95551 1/20 0.38
TSHR P16473 2/20 0.38
PARP1 P09874 1/20 0.38
PNMT P11086 5/20 0.37
ADRA2A P08913 3/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PTPRC P08575 1/20 0.36
S100A4 P26447 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 0.77 CYP1A2 (0.47) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL2903390 0.76 HTR6 (0.49) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL2908115 0.74 L3MBTL1 (0.43) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL2902838 0.73 HRH3 (0.52) MEN1MAPTKMT2ALMNARAB9A
SCHEMBL2905681 0.72 KMT2A (0.50) MEN1MAPTKMT2ALMNARAB9A
SCHEMBL27748110 0.69 PNMT (0.40) TDP2PARP1PNMTADRA2AADRA2B
SCHEMBL1697207 0.69 MAPT (0.53) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL776520 0.67 LOXL2 (0.57) ALDH1A1TSHRCRHBPCRHR2ACHE
SCHEMBL8503139 0.67 PTPRC (0.55) TLR9MEN1MAPTKMT2ALMNA
SCHEMBL2899865 0.67 RECQL (0.45) TLR9MEN1MAPTKMT2ALMNA

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 1 patent. 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

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 TLR9 1800/4885MEN1 1510/4885MAPT 1872/4885

“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.