SCHEMBL2360345

SCHEMBL2360345

CCCCCCCCCCCC1=C2C=CC(=N2)C(c2cccc(OCCC[N+](C)(C)C)c2)=C2C=CC(=N2)C=C2C=CC(=N2)C(c2cccc(OCCC[N+](C)(C)C)c2)=C2C=CC1=N2

nearest known ligand 0.32

Predicted protein targets (top 20)

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
▸ TSHR P16473 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MLNR O43193 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ ADRB2 P07550 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ ADRA2B P18089 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 SCHEMBL588718 0.99 CYP1A2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL2330468 0.92 — —
Hydrochloric Acid SCHEMBL583841 0.91 — —
SCHEMBL2325507 0.89 CYP1A2 (0.32) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL584375 0.88 CHRNB2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL585042 0.87 TLR8 (0.36) CNR1
SCHEMBL586062 0.82 GCGR (0.34) TSHR
SCHEMBL2202844 0.81 TSHR (0.37) CYP1A2CYP19A1CYP2C9CYP2C19TSHR
Dimethylamine SCHEMBL1861764 0.78 KDM4E (0.38) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28713240 0.78 PLA2G2A (0.36) TSHRCNR1

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
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 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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