SCHEMBL21069602

SCHEMBL21069602

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCn1cc([N+](=O)[O-])cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
BCHE P06276 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL21070435 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL21070679 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL13740907 0.89 ALDH1A1 (0.45) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL16264881 0.87 ALDH1A1 (0.48) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL29265242 0.85 ALDH1A1 (0.47) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL30731026 0.84 ALDH1A1 (0.45) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL21070133 0.82 ADORA2A (0.41) ALDH1A1BCHECNR2HRH3CA12
SCHEMBL21069564 0.82 ADORA2A (0.41) ALDH1A1BCHECNR2HRH3CA12
SCHEMBL21106760 0.81 HRH3 (0.38) ALDH1A1BCHECNR2HRH3CA12
SCHEMBL21107361 0.81 HRH3 (0.38) ALDH1A1BCHECNR2HRH3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-01-02 US disclosed
US-12168057-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
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
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP 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 (9 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 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-12168057-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885KMT2A 445/4885RXFP1 4006/4885

“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.