SCHEMBL5584024

SCHEMBL5584024

CCCCCCCCCCCCCCCCCCN1C(=O)NC(C)(C)C1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CNR1 P21554 1/20 0.54
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
MGLL Q99685 2/20 0.48
FAAH O00519 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PADI4 Q9UM07 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL5584423 1.00 POLB (0.57) POLBCNR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5584087 1.00 POLB (0.57) POLBCNR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5584607 1.00 POLB (0.57) POLBCNR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5584328 0.92 POLB (0.61) POLBCNR1ALDH1A1SMN1; SMN2GAA
SCHEMBL9787811 0.92 POLB (0.65) POLBALDH1A1SMN1; SMN2GAAHTT
SCHEMBL11694716 0.92 POLB (0.65) POLBALDH1A1SMN1; SMN2GAAHTT
SCHEMBL11694927 0.90 POLB (0.68) POLBALDH1A1SMN1; SMN2GAAHTT
SCHEMBL19131293 0.86 POLB (0.46) POLBCNR1HTTMAPK1KMT2A
SCHEMBL16676970 0.86 POLB (0.46) POLBCNR1ALDH1A1SMN1; SMN2GAA
SCHEMBL19132503 0.86 POLB (0.46) POLBCNR1HTTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-4188236-A ORGANIC PIGMENT, ROSIN, SORBITAN ESTER, CARRIER, DUSTLESS CIBA-GEIGY CORPORATION (US) 1980-02-12 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 1145/4885CNR1 4484/4885ALDH1A1 955/4885
US-10138379-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA POLB 1145/4885CNR1 4484/4885ALDH1A1 955/4885
US-10689526-B2 N-halamines compounds as multifunctional additives NIT2, AAAS, NACA POLB 1145/4885CNR1 4484/4885ALDH1A1 955/4885

“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.