SCHEMBL21071015

SCHEMBL21071015

O=C(O)NCCOCCOCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 4/20 0.52
KAT2B Q92831 2/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.46
HCAR3 P49019 1/20 0.46
DGAT1 O75907 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL28905485 0.99 RAB9A (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8718178 0.89 MAPT (0.70) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22162521 0.88 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2977328 0.86 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2977331 0.86 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23705089 0.84 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20402644 0.84 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9820324 0.83 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21070371 0.83 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29612659 0.83 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 7 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
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 (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 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885
US-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MAPT 2459/4885NPC1 3159/4885RAB9A 4270/4885

“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.