SCHEMBL6419240

SCHEMBL6419240

CCCc1cc(OC(=O)C2CCN(C(=O)CC(C)(C)Sc3c(OC)cc(OC)cc3OC)CC2)c(C)cc1OCCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
BDKRB1 P46663 3/20 0.34
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL4693654 0.88 CYP1A2 (0.47) SMN1; SMN2TSHRPOLBGAABDKRB1
SCHEMBL6416941 0.85 SMN1; SMN2 (0.37) SMN1; SMN2TSHRPOLBGAAALDH1A1
SCHEMBL4696089 0.84 CYP1A2 (0.40) SMN1; SMN2GAAMEN1KMT2ATDP1
SCHEMBL6413365 0.84 TSHR (0.40) SMN1; SMN2TSHRPOLBGAAALDH1A1
SCHEMBL4693660 0.83 BDKRB1 (0.34) SMN1; SMN2TSHRPOLBGAABDKRB1
SCHEMBL4696776 0.77 ALDH1A1 (0.53) SMN1; SMN2TSHRPOLBGAAALDH1A1
SCHEMBL4697597 0.74 GAA (0.44) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL4696863 0.72 MEN1 (0.37) SMN1; SMN2TSHRPOLBALDH1A1MEN1
SCHEMBL4694575 0.72 CYP1A2 (0.52) SMN1; SMN2TSHRPOLBGAAALDH1A1
SCHEMBL4696088 0.71 ADRA1D (0.58) SMN1; SMN2GAAALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds NITROMED, INC. (US) 2005-08-25 US disclosed
US-6469065-B1 COMPOUND THAT DONATES, TRANSFERS OR RELEASES NITRIC OXIDE, ELEVATES ENDOGENOUS LEVELS OF NITRIC OXIDE NITROMED, INC. 2002-10-22 US disclosed
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use GARVEY DAVID S (US) 2002-10-03 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 (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-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds ADRB1, ADRB3, ADRA1D SMN1; SMN2 1602/4885TSHR 1468/4885POLB 4309/4885
US-20020143007-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonists, compositions and methods of use ADRB1, ADRB3, ADRA1D SMN1; SMN2 1516/4885TSHR 1408/4885POLB 4329/4885

“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.