SCHEMBL2325507

SCHEMBL2325507

C[N+](C)(C)CCCOc1cccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cccc(OCCC[N+](C)(C)C)c3)=C3C=CC(=N3)C=C3C=CC2=N3)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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 SCHEMBL584375 0.99 CHRNB2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19CHRNB2
SCHEMBL2360345 0.89 CYP1A2 (0.32) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL588718 0.88 CYP1A2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL2327446 0.87 CHRNB4 (0.30) —
SCHEMBL1854878 0.86 PDE2A (0.37) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL584419 0.86 CYP3A4 (0.32) CHRNB2CHRNA4
SCHEMBL585273 0.86 MAOA (0.34) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Bromide SCHEMBL5014264 0.86 — —
Dimethylamine SCHEMBL1861764 0.84 KDM4E (0.38) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1856480 0.84 FFAR1 (0.35) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2

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 CYP1A2 505/4885CYP19A1 1115/4885CYP2C9 1177/4885

“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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