SCHEMBL3067744

SCHEMBL3067744

O=C(NCCCCCCCCCCCNCc1ccccc1)OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
TGM2 P21980 1/20 0.67
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KEAP1 Q14145 2/20 0.60
NFE2L2 Q16236 2/20 0.60
CCR6 P51684 1/20 0.59
PAX8 Q06710 1/20 0.59
MAOA P21397 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
CHRM2 P08172 1/20 0.57
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56
FOLH1 Q04609 1/20 0.53

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
SCHEMBL4373055 1.00 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7877730 0.92 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL4211608 0.92 ALDH1A1 (0.58) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.91 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.91 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.91 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL13706605 0.90 MEN1 (0.58) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL13365569 0.89 LMNA (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL1299850 0.89 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.89 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY JOHNSON MICHAEL ROSS (US) 2013-03-07 US disclosed
US-8324218-B2 Aliphatic pyrazinoylguanidine sodium channel blockers with beta agonist activity PARION SCIENCES, INC. (US) 2012-12-04 US disclosed
US-8324218-B2 Aliphatic pyrazinoylguanidine sodium channel blockers with beta agonist activity PARION SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2010-10-21 US disclosed
US-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2010-10-21 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-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY ADRB1, ADRB2, ADRA2B HTT 3640/4885TGM2 4506/4885LMNA 1309/4885
US-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY SCNN1G, SCNN1B, TRPV1 HTT 3451/4885TGM2 2668/4885LMNA 3799/4885

“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.