SCHEMBL2732905

SCHEMBL2732905

CCCCOC(=O)c1ccccc1-c1c2ccc(=NCC)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ USP2 O75604 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ CFTR P13569 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ GOPC Q9HD26 1/20 0.42
▸ TGM2 P21980 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ FPR2 P25090 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38

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
SCHEMBL22851948 0.92 MAOB (0.45) ABCB1USP2ATMCFTRPAX8
SCHEMBL17553532 0.89 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL15100480 0.89 ABCB1 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL20961733 0.89 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL17517217 0.86 TGM2 (0.42) ABCB1USP2ATMCFTRPAX8
SCHEMBL15100483 0.86 TGM2 (0.42) ABCB1USP2ATMCFTRPAX8
SCHEMBL14192855 0.86 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL3808753 0.86 ABCB1 (0.46) ABCB1USP2ATMCFTRPAX8
SCHEMBL18840607 0.86 TGM2 (0.37) ABCB1USP2ATMCFTRPAX8
SCHEMBL12103999 0.85 MEN1 (0.43) ABCB1USP2ATMCFTRPAX8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1267931-B1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIV MONTREAL (CA) 2004-12-29 — — EP claimed
EP-1267931-A1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIVERSITE DE MONTREAL (CA) 2003-01-02 — — EP claimed
WO-2001024824-A1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIVERSITE DE MONTREAL (CA) 2001-04-12 — — WO claimed
US-8802082-B2 Rhodamine derivatives for photodynamic diagnosis and treatment UNIVERSITE DE MONTREAL (CA) 2014-08-12 — — US disclosed
US-20130295059-A1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT HOPITAL MAISONNEUVE-ROSEMONT (CA) 2013-11-07 — — US disclosed
JP-2011229537-A RHODAMINE DERIVATIVE FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIV MONTREAL 2011-11-17 — — JP disclosed
EP-1267931-B1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIV MONTREAL (CA) 2004-12-29 — — EP disclosed
EP-1267931-A1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIVERSITE DE MONTREAL (CA) 2003-01-02 — — EP disclosed
WO-2001024824-A1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT UNIVERSITE DE MONTREAL (CA) 2001-04-12 — — 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-20130295059-A1 RHODAMINE DERIVATIVES FOR PHOTODYNAMIC DIAGNOSIS AND TREATMENT HMBS, HLA-B, CD74 ABCB1 439/4885USP2 3393/4885ATM 3182/4885

“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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