SCHEMBL21070655

SCHEMBL21070655

O=C(O)NCCOCCOCCOCCn1ccc2c([N+](=O)[O-])cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MET P08581 1/20 0.35
▸ CYP2C19 P33261 2/20 0.34

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
SCHEMBL29612783 0.86 LMNA (0.54) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL21070648 0.86 LMNA (0.54) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL21070166 0.85 MCL1 (0.39) ALDH1A1LMNASMN1; SMN2HPGDMEN1
SCHEMBL31310600 0.85 MCL1 (0.39) ALDH1A1LMNASMN1; SMN2HPGDMEN1
SCHEMBL31664174 0.85 MCL1 (0.39) ALDH1A1LMNASMN1; SMN2HPGDMEN1
SCHEMBL21069477 0.85 MCL1 (0.39) ALDH1A1LMNASMN1; SMN2HPGDMEN1
SCHEMBL21071403 0.82 PARP1 (0.41) LMNASMN1; SMN2MAPK1
SCHEMBL21070644 0.81 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDMEN1
SCHEMBL30672841 0.76 GAA (0.47) ALDH1A1LMNASMN1; SMN2NPC1PKM
SCHEMBL12543694 0.76 GAA (0.47) ALDH1A1LMNASMN1; SMN2NPC1PKM

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-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 — — US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 — — US disclosed
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 — — US disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 — — US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 — — US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 — — 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 (6 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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885LMNA 1656/4885SMN1; SMN2 2647/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885LMNA 1656/4885SMN1; SMN2 2647/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885LMNA 1656/4885SMN1; SMN2 2647/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885LMNA 1656/4885SMN1; SMN2 2647/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885LMNA 1656/4885SMN1; SMN2 2647/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885LMNA 1656/4885SMN1; SMN2 2647/4885

“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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