SCHEMBL5447808

SCHEMBL5447808

CCCCc1ccc(N=C(N)N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.66
ADRA2A P08913 6/20 0.59
ADRA2B P18089 4/20 0.59
ADRA2C P18825 4/20 0.59
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SLC22A2 O15244 2/20 0.52
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
AOC3 Q16853 1/20 0.51

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
SCHEMBL25147342 0.90 PLAU (0.73) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL14590321 0.82 CYP3A4 (0.54) ADRA2AADRA2BADRA2CPOLBCYP3A4
SCHEMBL4980238 0.80 SIGMAR1 (0.71) ADRA2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4982720 0.80 CYP3A4 (0.46) PLAUADRA2AADRA2BADRA2CCYP3A4
SCHEMBL16562419 0.79 PLAU (1.00) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL4979943 0.79 SIGMAR1 (0.48) PLAUADRA2AADRA2BADRA2CCYP3A4
SCHEMBL5920693 0.78 CYP3A4 (0.50) ADRA2AADRA2BADRA2CCYP3A4CYP2D6
SCHEMBL2492526 0.78 ADRA2A (0.65) PLAUADRA2AADRA2BADRA2CPOLB
SCHEMBL30102216 0.77 CYP3A4 (0.56) ADRA2AADRA2BADRA2CCYP3A4CYP2D6
SCHEMBL30069694 0.77 CYP3A4 (0.56) ADRA2AADRA2BADRA2CCYP3A4CYP2D6

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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 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 (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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT PLAU 3316/4885ADRA2A 808/4885ADRA2B 913/4885

“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.