SCHEMBL4101727

SCHEMBL4101727

COCCOCCOCCOc1cc(N)c(N)cc1OCCOCCOCCOC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.38
PLAU P00749 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
PDPK1 O15530 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
AR P10275 1/20 0.35
INPPL1 O15357 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL22072959 0.94 PLAU (0.40) PLAUALDH1A1L3MBTL1POLBPDPK1
SCHEMBL9091872 0.91 CYP1A2 (0.43) NCF1ALDH1A1L3MBTL1POLBNPC1
SCHEMBL15364623 0.83 AR (0.45) NCF1ALDH1A1ARKDM4EUSP2
SCHEMBL15365210 0.83 AR (0.45) NCF1ALDH1A1ARKDM4EUSP2
SCHEMBL15365341 0.83 AR (0.45) NCF1ALDH1A1ARKDM4EUSP2
SCHEMBL6739587 0.83 KDM1A (0.43) ALDH1A1L3MBTL1POLBPDPK1
SCHEMBL9685009 0.82 EGFR (0.34) NCF1PLAUALDH1A1L3MBTL1POLB
SCHEMBL17525544 0.81 MAPT (0.50) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL25427456 0.80 L3MBTL1 (0.44) PLAUALDH1A1L3MBTL1POLBMEN1
SCHEMBL23915572 0.80 L3MBTL1 (0.53) PLAUALDH1A1L3MBTL1POLBMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105633-A1 ULTRASOUND ASSEMBLY FOR USE WITH LIGHT ACTIVATED DRUGS TACHIBANA KATSURO 2009-04-23 US disclosed
US-20040229830-A1 Delivery of therapeutic compositions using ultrasound TACHIBANA KATSURO (JP) 2004-11-18 US disclosed
US-20040059313-A1 Ultrasound assembly for use with light activated drugs EKOS L.L.C. 2004-03-25 US disclosed
US-20030157024-A1 ULTRASOUND ASSEMBLY FOR USE WITH LIGHT ACTIVATED DRUGS TACHIBANA KATSURO (JP) 2003-08-21 US disclosed
US-20030092667-A1 Delivery of therapeutic compositions using ultrasound EKOS L.L.C. 2003-05-15 US disclosed
EP-0724457-B1 RADIATION SENSITIZATION USING TEXAPHYRINS UNIV TEXAS (US) 2003-03-05 EP disclosed
US-6527759-B1 Ultrasound assembly for use with light activated drugs EKOS CORPORATION 2003-03-04 US disclosed
US-6176842-B1 Ultrasound assembly for use with light activated drugs EKOS CORPORATION 2001-01-23 US disclosed
US-6072038-A HYDROXYLATED TEXAPHYRIN-BIOMOLECULE CONJUGATE; FOR RADIATION SENSITIZATION IN X-RAY THERAPY FOR ANTITUMOR AND ANTIATHEROMA THERAPY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-06-06 US disclosed
US-6069140-A RADIATION SENSITIZERS THE BOARD OF REGENTS UNIVERSITY OF TEXAS SYSTEM (US) 2000-05-30 US disclosed
WO-1999013943-A1 ULTRASOUND ASSEMBLY FOR USE WITH LIGHT ACTIVATED DRUGS EKOS CORPORATION (US) 1999-03-25 WO disclosed
US-5801229-A RADIATION SENSITIZERS; ANTITUMOR AGENTS THE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1998-09-01 US disclosed
US-5632970-A Fluoresence detection using texaphyrins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 1997-05-27 US disclosed
US-5622946-A TREATMENT OF NEOPLASM OR ATHEROMA PHARMACYCLICS, INC. (US) 1997-04-22 US disclosed
US-5587371-A EFFECTIVE FOR TREATING HYPOXIC AREAS OF SOLID NEOPLASMS PHARMACYCLICS, INC. (US) 1996-12-24 US disclosed
US-5583220-A Pyrole nitrogen-substituted texaphyrins PHARMACYCLICS, INC. (US) 1996-12-10 US disclosed
US-5580543-A TEXAPHYRINS AS RADIATION SENSITIZERS PHARMACYCLICS, INC. (US) 1996-12-03 US disclosed
US-5567687-A USEFUL IN PHOTODYNAMIC THERAPY AND LIGHT-INDUCED CLEAVAGE OF A POLYMER OF DEOXYRIBONUCLEIC ACID UNIVERSITY OF TEXAS (US) 1996-10-22 US disclosed
EP-0724457-A1 RADIATION SENSITIZATION USING TEXAPHYRINS THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-08-07 EP disclosed
WO-1995010307-A1 RADIATION SENSITIZATION USING TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-04-20 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 (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-20030092667-A1 Delivery of therapeutic compositions using ultrasound SON, XRCC6, DNASE1 NCF1 1405/4885PLAU 33/4885ALDH1A1 4703/4885
US-20040229830-A1 Delivery of therapeutic compositions using ultrasound SON, XRCC6, DNASE1 NCF1 1405/4885PLAU 33/4885ALDH1A1 4703/4885

“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.