SCHEMBL2328568

SCHEMBL2328568

CN(C)CCC[N+](C)(C)CCCOc1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3ccc(OCCC[N+](C)(C)CCCN(C)C)cc3)=C3C=CC(=N3)C=C3C=CC2=N3)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.33
▸ TLR7 Q9NYK1 3/20 0.32
▸ CXCR1 P25024 2/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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 SCHEMBL585264 0.99 LSS (0.36) LSSKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL2327446 0.87 CHRNB4 (0.30) CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL584419 0.86 CYP3A4 (0.32) CYP3A4CYP2D6
Bromide SCHEMBL5014264 0.86 — —
SCHEMBL2331145 0.83 CHRNA7 (0.39) KDM4EALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL584372 0.82 CHRNA7 (0.38) CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29089950 0.80 ATP4A (0.40) KDM4EHRH3PTPN1
SCHEMBL21523874 0.79 RARB (0.40) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL585087 0.79 — —
Hydrochloric Acid SCHEMBL27856205 0.77 RARB (0.38) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4

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-9326511-B2 Methods of inhibiting microbial biofilms DESTINY PHARMA LIMITED (GB) 2016-05-03 — — US disclosed
EP-2355816-B1 PORPHYRIN COMPOUNDS FOR KILLING, INHIBITING OR PREVENTING THE GROWTH OF MICROBIAL BIOFILMS DESTINY PHARMA LTD (GB) 2014-05-14 — — EP disclosed
US-20110262511-A1 Novel Uses DESTINY PHARMA LIMITED (GB) 2011-10-27 — — US disclosed
EP-2355816-A2 NOVEL USES Destiny Pharma Limited (GB) 2011-08-17 — — EP disclosed
WO-2010046663-A2 NOVEL USES DESTINY PHARMA LIMITED (GB) 2010-04-29 — — WO 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-20110262511-A1 Novel Uses XDH, F12, ZFX LSS 957/4885KDM4E 1716/4885ALDH1A1 1391/4885

“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.

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