SCHEMBL3049211

SCHEMBL3049211

NCCCCCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
TGM2 P21980 1/20 0.68
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
DPP8 Q6V1X1 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
FOLH1 Q04609 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
ANPEP P15144 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ITGB3 P05106 3/20 0.52
ITGA2B P08514 3/20 0.52

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
SCHEMBL4363476 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL235394 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL2076614 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7863455 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29040497 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29040501 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL19240717 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL5279548 0.98 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL6375520 0.98 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL335088 0.98 HTT (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444494-A Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof 浙江大学 2023-07-18 CN disclosed
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.