SCHEMBL5584328

SCHEMBL5584328

CCCCN1C(=O)NC(C)(C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.52
CNR1 P21554 2/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
PADI4 Q9UM07 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.48
PLA2G7 Q13093 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL5584024 0.92 POLB (0.57) POLBKMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL5584423 0.92 POLB (0.57) POLBKMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL5584607 0.92 POLB (0.57) POLBKMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL5584087 0.92 POLB (0.57) POLBKMT2ACNR1ALDH1A1SMN1; SMN2
SCHEMBL11694927 0.90 POLB (0.68) POLBKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL13753309 0.88 POLB (0.65) POLBKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL9787811 0.88 POLB (0.65) POLBKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL11694716 0.88 POLB (0.65) POLBKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL11677768 0.85 POLB (0.74) POLBKMT2AALDH1A1SMN1; SMN2MAPK1
Imidazole SCHEMBL28528677 0.83 POLB (0.44) POLBCNR1ALDH1A1SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285531-A Pteridine corrosion inhibitor and preparation method thereof 华电电力科学研究院有限公司 2023-12-26 CN disclosed
US-10689526-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-23 US disclosed
US-20190055414-A1 N-HALAMINES COMPOUNDS AS MULTIFUNCTIONAL ADDITIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-02-21 US disclosed
US-10138379-B2 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-27 US disclosed
WO-2017079841-A1 MONOMERS, POLYMERS AND COATING FORMULATIONS THAT COMPRISE AT LEAST ONE N-HALAMINE PRECURSOR, A CATIONIC CENTER AND A COATING INCORPORATION GROUP EXIGENCE TECHNOLOGIES INC. (CA) 2017-05-18 WO disclosed
US-20150166796-A1 N-Halamines Compounds as Multifunctional Additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-06-18 US disclosed
US-20070062884-A1 N-halamines compounds as multifunctional additives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-03-22 US disclosed
US-4230709-A Method of treating asthma with alkyl, alkylidene and alkylene hydantoins LILLY INDUSTRIES LIMITED (GB) 1980-10-28 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 (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-20150166796-A1 N-Halamines Compounds as Multifunctional Additives NIT2, AAAS, NACA POLB 1145/4885KMT2A 303/4885CNR1 4484/4885
US-10138379-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA POLB 1145/4885KMT2A 303/4885CNR1 4484/4885
US-10689526-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA POLB 1145/4885KMT2A 303/4885CNR1 4484/4885

“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.