SCHEMBL12419500

SCHEMBL12419500

COC(=O)COc1ccc(CCCCN)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS2 P35354 2/20 0.48
PPARD Q03181 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPN1 P18031 1/20 0.44
MAPT P10636 1/20 0.44
MDH1 P40925 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7201519 0.89 TAAR1 (0.55) ALDH1A1PTGS2PPARDCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9267842 0.88 TAAR1 (0.53) ALDH1A1PTGS2PPARDCYP2C9CYP2C19
SCHEMBL12869161 0.86 ALDH1A1 (0.63) ALDH1A1MEN1KMT2APPARDCYP2C9
SCHEMBL2292200 0.85 PPARA (0.55) ALDH1A1MAPT
SCHEMBL12251782 0.84 ITGB3 (0.48)
SCHEMBL1431250 0.84 CYP4A11 (0.57) ALDH1A1MEN1KMT2APTGS2PPARD
SCHEMBL1429054 0.83 PTGS2 (0.49) ALDH1A1MEN1KMT2APTGS2PPARD
SCHEMBL5491120 0.82 PTGS2 (0.54) ALDH1A1MEN1KMT2APTGS2PPARD
SCHEMBL4262134 0.81 ADRB2 (0.58) ALDH1A1MEN1KMT2APTGS2PPARD
SCHEMBL8481490 0.81 PTGS2 (0.53) ALDH1A1MEN1KMT2APTGS2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008494-B2 2-(4-{4-[N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidino]-butyl}phenoxy)-N-(3-dimethylaminopropyl)acetamide dimethanesulfonate; promoting hydration of mucosal surfaces; Sjogren's disease, esophagitis, pneumonia, asthma, otitis, constipation, chronic diverticulitis, rhinosinusitis PARION SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20080171879-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-07-17 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-20080171879-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS SCN2A, CACNA1B, HCN4 ALDH1A1 1627/4885MEN1 2369/4885KMT2A 1267/4885

“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.