SCHEMBL13575164

SCHEMBL13575164

CCCC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 5/20 0.84
▸ AKR1B1 P15121 3/20 0.84
▸ KDM4E B2RXH2 1/20 0.84
▸ MEN1 O00255 1/20 0.84
▸ ALDH1A1 P00352 1/20 0.84
▸ POLB P06746 1/20 0.84
▸ GAA P10253 1/20 0.84
▸ HPGD P15428 1/20 0.84
▸ TSHR P16473 1/20 0.84
▸ PTGS2 P35354 1/20 0.84
▸ KMT2A Q03164 1/20 0.84
▸ HSD17B10 Q99714 1/20 0.84
▸ TDP1 Q9NUW8 1/20 0.84
▸ ADORA3 P0DMS8 1/20 0.61
▸ DHFR P00374 6/20 0.57
▸ ATIC P31939 3/20 0.56
▸ GART P22102 2/20 0.56

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
SCHEMBL13011046 1.00 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL470145 0.93 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL10173120 0.93 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL12523472 0.93 AKR1B1 (0.81) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL23581079 0.93 TYMS (0.92) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL22758092 0.92 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL22758155 0.92 TYMS (0.83) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL21664561 0.92 TYMS (0.85) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL18533392 0.92 TYMS (0.80) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL19738969 0.92 TYMS (0.80) TYMSAKR1B1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 — — US disclosed
US-20210299285-A1 COMPOUNDS USEFUL FOR IN VIVO IMAGING OF PROTEIN OXIDATION AND/OR CANCER TREATMENT UNIV WAKE FOREST HEALTH SCIENCES (US) 2021-09-30 — — US disclosed
US-20200384010-A1 COMPLEX OF NUCLEIC ACID MEDICINE AND MULTIBRANCHED LIPID SHIONOGI & CO., LTD. (JP) 2020-12-10 — — US disclosed
EP-3603648-A1 COMPLEX OF NUCLEIC ACID MEDICINE AND MULTIBRANCHED LIPID Shionogi & Co., Ltd (JP) 2020-02-05 — — EP disclosed
WO-2020018613-A1 COMPOUNDS USEFUL FOR IN VIVO IMAGING OF PROTEIN OXIDATION AND/OR CANCER TREATMENT WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2020-01-23 — — WO disclosed
WO-2018057649-A1 TAGGED POLY(ESTER AMIDE URETHANE)S, NANOPARTICLES FORMED FROM SAME, AND USES THEREOF CORNELL UNIVERSITY (US) 2018-03-29 — — WO disclosed
US-20160362434-A1 METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI) BROCK UNIVERSITY (CA) 2016-12-15 — — US disclosed
US-20140271468-A1 ASTHMA IMAGING PURDUE RESEARCH FOUNDATION (US) 2014-09-18 — — US disclosed
US-8765096-B2 Methods and compositions for treating and diagnosing kidney disease ENDOCYTE, INC (US) 2014-07-01 — — US disclosed
US-20130266964-A1 METHOD OF DETECTING ENDOTHELIAL PROGENITOR CELLS PURDUE RESEARCH FOUNDATION (US) 2013-10-10 — — US disclosed
US-20130266964-A1 METHOD OF DETECTING ENDOTHELIAL PROGENITOR CELLS PURDUE RESEARCH FOUNDATION (US) 2013-10-10 — — US disclosed
US-20090324726-A1 Non-Viral Gene Therapy Using Chitosan-Containing Nanoparticles FERNANDES JULIO C 2009-12-31 — — US disclosed
US-20090324726-A1 Non-Viral Gene Therapy Using Chitosan-Containing Nanoparticles FERNANDES JULIO C 2009-12-31 — — US disclosed
US-20090214636-A1 Imaging and Therapeutic Method Using Monocytes LOW PHILIP S 2009-08-27 — — US disclosed
US-20090214636-A1 Imaging and Therapeutic Method Using Monocytes LOW PHILIP S 2009-08-27 — — 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 (7 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-20210299285-A1 COMPOUNDS USEFUL FOR IN VIVO IMAGING OF PROTEIN OXIDATION AND/OR CANCER TREATMENT QSOX1, GPX4, SDHA TYMS 773/4885AKR1B1 582/4885KDM4E 3379/4885
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid FABP1, POLRMT, SREBF1 TYMS 691/4885AKR1B1 2035/4885KDM4E 3088/4885
US-20200384010-A1 COMPLEX OF NUCLEIC ACID MEDICINE AND MULTIBRANCHED LIPID FABP1, POLRMT, SREBF1 TYMS 691/4885AKR1B1 2035/4885KDM4E 3088/4885
US-20090324726-A1 Non-Viral Gene Therapy Using Chitosan-Containing Nanoparticles FOLR1, FOLR2, SLC19A1 TYMS 23/4885AKR1B1 674/4885KDM4E 4235/4885
US-20140271468-A1 ASTHMA IMAGING CYSLTR1, FCER2, MRGPRX2 TYMS 3284/4885AKR1B1 818/4885KDM4E 3820/4885
US-20090214636-A1 Imaging and Therapeutic Method Using Monocytes CD14, MYADM, CD68 TYMS 3982/4885AKR1B1 1324/4885KDM4E 4421/4885
US-20160362434-A1 METHODS AND COMPOUNDS FOR ENHANCING CONTRAST IN MAGNETIC RESONANCE IMAGING (MRI) PPIP5K2, FABP7, MPI TYMS 2801/4885AKR1B1 467/4885KDM4E 4687/4885

“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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