Sugi Predict

Sugi Predict / Compounds / SCHEMBL14088232

SCHEMBL14088232

SCHEMBL14088232

N=C(NCCCOCCCN)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCNN1A P37088 19/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ FTO Q9C0B1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GMNN O75496 1/20 0.39
▸ BLM P54132 1/20 0.39

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
Hydrochloric Acid SCHEMBL4885446 0.99 SCNN1A (0.43) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14088228 0.92 SCNN1A (0.48) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14088245 0.91 SCNN1A (0.46) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14217617 0.91 SCNN1A (0.44) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14088262 0.90 SCNN1A (0.49) SCNN1AALDH1A1NPC1KDM4EGLA
Hydrochloric Acid SCHEMBL4880819 0.90 SCNN1A (0.46) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14088188 0.89 SCNN1A (0.47) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL4885284 0.89 SCNN1A (0.47) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14088216 0.89 SCNN1A (0.47) SCNN1AALDH1A1NPC1KDM4EGLA
SCHEMBL14088240 0.89 SCNN1A (0.47) SCNN1AALDH1A1NPC1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 — — US disclosed
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 — — US disclosed
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 — — US disclosed
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 — — 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-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885ALDH1A1 1639/4885NPC1 458/4885

“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.