SCHEMBL585273

SCHEMBL585273

BrCCCOc1cccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C(c3cccc(OCCCBr)c3)=C3C=CC(=N3)C=C3C=CC2=N3)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ CYP1A2 P05177 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL1854878 0.89 PDE2A (0.37) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL585087 0.86 — —
SCHEMBL2325507 0.86 CYP1A2 (0.32) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL584375 0.85 CHRNB2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
Dimethylamine SCHEMBL1861764 0.85 KDM4E (0.38) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4745597 0.84 GRM5 (0.35) CYP1A2CYP2C19
SCHEMBL14806869 0.82 MAOA (0.40) MAOAMAOBCYP1A2CYP19A1CYP2C9
SCHEMBL14806854 0.82 MAOA (0.40) MAOAMAOBCYP1A2CYP19A1CYP2C9
SCHEMBL2202844 0.82 TSHR (0.37) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL585529 0.81 CLK4 (0.39) MAOBCYP1A2CYP2C9CYP2C19SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP disclosed
US-7977474-B2 Uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2011-07-12 — — US disclosed
EP-1897883-A2 Cationic porphyrin derivatives as antibacterial agents Destiny Pharma Limited (GB) 2008-03-12 — — EP disclosed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — EP disclosed
US-20070167619-A1 Novel uses of porphyrin compounds DESTINY PHARMA LTD. (GB) 2007-07-19 — — US disclosed
US-7244841-B2 Porphyrin derivatives and their use in photodynamic therapy DESTINY PHARMA LIMITED (GB) 2007-07-17 — — US disclosed
US-20040143001-A1 Novel compounds and uses thereof DESTINY PHARMA LIMITED 2004-07-22 — — 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 (2 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-20070167619-A1 Novel uses of porphyrin compounds PPOX, ZFX, ZYX MAOA 1422/4885MAOB 1162/4885CYP1A2 1592/4885
US-20040143001-A1 Novel compounds and uses thereof PPOX, CYP19A1, XDH MAOA 621/4885MAOB 353/4885CYP1A2 62/4885

“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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