SCHEMBL2331145

SCHEMBL2331145

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 19/20 0.39
▸ CHRNB4 P30926 14/20 0.39
▸ CHRNA3 P32297 14/20 0.39
▸ CHRNB2 P17787 7/20 0.39
▸ CHRNA4 P43681 7/20 0.39
▸ CHRNA10 Q9GZZ6 7/20 0.36
▸ CHRNA9 Q9UGM1 7/20 0.36
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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 SCHEMBL584372 0.99 CHRNA7 (0.38) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2327446 0.89 CHRNB4 (0.30) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
Bromide SCHEMBL5014264 0.88 — —
Hydrochloric Acid SCHEMBL584419 0.88 CYP3A4 (0.32) CHRNB2CHRNA4CYP2D6
SCHEMBL21523874 0.85 RARB (0.40) KDM4EALDH1A1TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL27856205 0.83 RARB (0.38) KDM4EALDH1A1TP53CYP1A2CYP2D6
SCHEMBL585087 0.83 — —
SCHEMBL2328568 0.83 LSS (0.37) KDM4EALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL585264 0.82 LSS (0.36) KDM4EALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29089950 0.82 ATP4A (0.40) KDM4E

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 8 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 claimed
EP-2355816-B1 PORPHYRIN COMPOUNDS FOR KILLING, INHIBITING OR PREVENTING THE GROWTH OF MICROBIAL BIOFILMS DESTINY PHARMA LTD (GB) 2014-05-14 — — EP claimed
US-20110262511-A1 Novel Uses DESTINY PHARMA LIMITED (GB) 2011-10-27 — — US claimed
EP-2355816-A2 NOVEL USES Destiny Pharma Limited (GB) 2011-08-17 — — EP claimed
WO-2010046663-A2 NOVEL USES DESTINY PHARMA LIMITED (GB) 2010-04-29 — — WO claimed
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

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 CHRNA7 4821/4885CHRNB4 3758/4885CHRNA3 4248/4885

“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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