SCHEMBL51649

SCHEMBL51649

Nc1ccn([C@H]2C[C@H](O)[C@@H](C(O)Br)O2)c(=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
LMNA P02545 3/20 0.48
PDE3A Q14432 3/20 0.48
CACNA1F O60840 2/20 0.48
ALB P02768 2/20 0.48
MAPT P10636 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
THRB P10828 1/20 0.44
MTOR P42345 1/20 0.44
MDM2 Q00987 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
NT5E P21589 1/20 0.44
POLG P54098 2/20 0.43
PDE4D Q08499 1/20 0.42
SLC29A1 Q99808 1/20 0.42
P2RY2 P41231 3/20 0.41
P2RY4 P51582 3/20 0.41

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
SCHEMBL4199985 1.00 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL28799641 0.91 POLB (0.53) POLBLMNAPDE3ACACNA1FALB
SCHEMBL5666376 0.91 POLB (0.53) POLBLMNAPDE3ACACNA1FALB
SCHEMBL7794947 0.89 POLB (0.51) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3449196 0.89 POLB (0.51) POLBLMNAPDE3ACACNA1FALB
SCHEMBL13471863 0.88 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3178721 0.88 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL127179 0.88 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL4201132 0.88 POLB (0.50) POLBLMNAPDE3ACACNA1FALB
SCHEMBL3896397 0.86 POLB (0.48) POLBLMNAPDE3ACACNA1FALB

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 1706 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086250-B1 MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND MTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2024-12-11 EP claimed
CN-110191950-B Compositions, methods and systems for identifying candidate nucleic acid agents 爱普济德生物技术有限公司 2023-08-25 CN claimed
CN-116286830-A Aptamer 中国人民解放军军事科学院军事医学研究院 2023-06-23 CN claimed
CN-115151263-A Aptamers and uses thereof 爱普济德生物技术有限公司 2022-10-04 CN claimed
EP-3519571-B1 COMPOSITIONS, METHODS AND SYSTEMS FOR IDENTIFYING CANDIDATE NUCLEIC ACID AGENT APTITUDE MEDICAL SYSTEMS INC (US) 2022-07-27 EP claimed
CN-111053903-A Application of compound of nucleic acid analogue carrying resonance atom 深圳市纳诺艾医疗科技有限公司 2020-04-24 CN claimed
EP-2935331-B1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF ABBVIE INC (US) 2018-02-28 EP claimed
US-9296687-B2 Modulators of HSP70/DnaK function and methods of use thereof FOX CHASE CANCER CENTER (US) 2016-03-29 US claimed
EP-2935331-A1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF AbbVie Inc. (US) 2015-10-28 EP claimed
US-8957014-B2 Sensitization of tumor cells to radiation therapy through administration of endothelin agonists SPECTRUM PHARMACEUTICALS, INC. (US) 2015-02-17 US claimed
JP-2006508086-A 2006-03-09 JP claimed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 US claimed
EP-1556073-A2 METHOD AND COMPOSITION FOR PREVENTING AND TREATING SOLID TUMORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-07-27 EP claimed
WO-2005027907-A1 USE OF CHK1 INHIBITORS TO CONTROL CELL PROLIFERATION ICOS CORPORATION (US) 2005-03-31 WO claimed
WO-2004085418-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS LUITPOLD PHARMACEUTICALS, INC. (US) 2004-10-07 WO claimed
US-20040138121-A1 Method and composition for preventing and treating solid tumors DONEHEW FUND LIMITED PARTNERSHIP 2004-07-15 US claimed
WO-2004037235-A2 METHOD AND COMPOSITION FOR PREVENTING AND TREATING SOLID TUMORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-05-06 WO claimed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040138121-A1 Method and composition for preventing and treating solid tumors EDNRB, EDNRA, PGF POLB 240/4885LMNA 827/4885PDE3A 83/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 POLB 112/4885LMNA 201/4885PDE3A 1236/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 POLB 74/4885LMNA 834/4885PDE3A 1717/4885

“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.