SCHEMBL22835748

SCHEMBL22835748

O=C1CCNc2cc(Br)c([N+](=O)[O-])cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
MPI P34949 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL394896 0.76 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2MAPK1TYMS
SCHEMBL28899149 0.76 ALDH1A1 (0.66) ALDH1A1MAPTKDM4ETYMS
SCHEMBL1090688 0.74 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ATP53HSD17B10
SCHEMBL29502218 0.74 MAPT (0.72) ALDH1A1MAPTTP53HSD17B10LMNA
SCHEMBL22835901 0.74 MAPT (0.72) ALDH1A1MAPTTP53HSD17B10LMNA
SCHEMBL25276892 0.72 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL28687305 0.72 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29948190 0.72 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7162505 0.71 TYMS (0.53) ALDH1A1MAPTKMT2AHSD17B10ALOX15
SCHEMBL31110031 0.71 MAPT (0.82) ALDH1A1MAPTTP53HSD17B10LMNA

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-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-02 US disclosed
CN-114502158-A IRAK degradation agent and application thereof 凯麦拉医疗公司 2022-05-13 CN disclosed
EP-3989966-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-05-04 EP disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO 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-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885MEN1 4055/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 ALDH1A1 3918/4885MAPT 1491/4885MEN1 3785/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885MEN1 4055/4885

“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.