SCHEMBL3757130

SCHEMBL3757130

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 1/20 0.38
CTSK P43235 5/20 0.37
CTSS P25774 1/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL31201814 1.00 TDP1 (0.44) TDP1MAOAMAOBCA12CA1
SCHEMBL4798674 0.93 EPHX2 (0.42) TDP1
SCHEMBL18313972 0.86 TDP1 (0.48) TDP1MAOAMAOBCA12CA1
SCHEMBL6386900 0.84 MAOA (0.36) TDP1MAOAMAOBCA12CA1
SCHEMBL12463596 0.84 MEN1 (0.39) TDP1MAOAMAOBCA12CA1
SCHEMBL26048445 0.84 TDP1 (0.51) TDP1MAOAMAOBCA12CA1
SCHEMBL25196839 0.83 TDP1 (0.54) TDP1MAOAMAOBCA12CA1
SCHEMBL8358630 0.82 TDP1 (0.52) TDP1MAOAMAOBCA12CA1
SCHEMBL26444510 0.82 CA14 (0.44) TDP1MAOAMAOBCA12CA1
SCHEMBL18865427 0.81 TDP1 (0.55) TDP1MAOAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786468-B2 Nanoparticles KING'S COLLEGE LONDON (GB) 2023-10-17 US disclosed
US-11786468-B2 Nanoparticles KING'S COLLEGE LONDON (GB) 2023-10-17 US disclosed
US-11369697-B2 Liposome nanoparticles for tumor magnetic resonance imaging UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2022-06-28 US disclosed
US-20180177728-A1 NANOPARTICLES KING'S COLLEGE LONDON (GB) 2018-06-28 US disclosed
US-20180178043-A1 FOCUSTED ULTRASOUND HYPERTHERMIA KING'S COLLEGE LONDON (GB) 2018-06-28 US disclosed
US-20180177728-A1 NANOPARTICLES KING'S COLLEGE LONDON (GB) 2018-06-28 US disclosed
US-20180178043-A1 FOCUSTED ULTRASOUND HYPERTHERMIA KING'S COLLEGE LONDON (GB) 2018-06-28 US disclosed
US-20170348440-A1 Novel Liposome Nanoparticles for Tumor Magnetic Resonance Imaging MEDICAL RESEARCH COUNCIL (GB) 2017-12-07 US disclosed
US-20170348440-A1 Novel Liposome Nanoparticles for Tumor Magnetic Resonance Imaging MEDICAL RESEARCH COUNCIL (GB) 2017-12-07 US disclosed
WO-2016198862-A1 NANOPARTICLES KING'S COLLEGE LONDON (GB) 2016-12-15 WO disclosed
WO-2016198864-A1 FOCUSED ULTRASOUND HYPERTHERMIA KING'S COLLEGE LONDON (GB) 2016-12-15 WO disclosed
US-20130129636-A1 Novel Liposome Nanoparticles for Tumor Magnetic Resonance Imaging IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-23 US disclosed
US-20130129636-A1 Novel Liposome Nanoparticles for Tumor Magnetic Resonance Imaging IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-23 US disclosed
US-20100297023-A1 Lipid IMUTHES LIMITED UNIVERSITY OF THE WITWATERSRAND 2010-11-25 US disclosed
US-20050287202-A1 Compound MILLER ANDREW D 2005-12-29 US disclosed
EP-0861228-B1 LIPOPOLYAMINES AS TRANSFECTION AGENTS AND PHARMACEUTICAL USES THEREOF AVENTIS PHARMA SA (FR) 2000-08-23 EP disclosed
EP-0861228-A1 LIPOPOLYAMINES AS TRANSFECTION AGENTS AND PHARMACEUTICAL USES THEREOF Aventis Pharma S.A. (FR) 1998-09-02 EP disclosed
WO-1997018185-A1 LIPOPOLYAMINES AS TRANSFECTION AGENTS AND PHARMACEUTICAL USES THEREOF RHONE-POULENC RORER S.A. (FR) 1997-05-22 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 (8 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-11369697-B2 Liposome nanoparticles for tumor magnetic resonance imaging PHOSPHO1, SGMS1, SGMS2 TDP1 3790/4885MAOA 4439/4885MAOB 4502/4885
US-20050287202-A1 Compound FOLR1, FOLR2, LDLR TDP1 4664/4885MAOA 775/4885MAOB 407/4885
US-20180177728-A1 NANOPARTICLES FUS, LIPA, PLIN3 TDP1 1714/4885MAOA 3191/4885MAOB 3069/4885
US-20100297023-A1 Lipid NR1H2, NR1H3, NR1H4 TDP1 4830/4885MAOA 4722/4885MAOB 4552/4885
US-20180178043-A1 FOCUSTED ULTRASOUND HYPERTHERMIA FUS, FABP3, FABP4 TDP1 1016/4885MAOA 3645/4885MAOB 3425/4885
US-11786468-B2 Nanoparticles FUS, LIPA, PLIN3 TDP1 1714/4885MAOA 3191/4885MAOB 3069/4885
US-20130129636-A1 Novel Liposome Nanoparticles for Tumor Magnetic Resonance Imaging PHOSPHO1, SGMS1, SGMS2 TDP1 4145/4885MAOA 4624/4885MAOB 4656/4885
US-20170348440-A1 Novel Liposome Nanoparticles for Tumor Magnetic Resonance Imaging PHOSPHO1, SGMS1, SGMS2 TDP1 3901/4885MAOA 4325/4885MAOB 4404/4885

“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.