SCHEMBL29612787

SCHEMBL29612787

CCOC(=O)Cn1ccc2c([N+](=O)[O-])cccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MITF O75030 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3725949 1.00 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL14875760 0.87 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL13318996 0.85 ALDH1A1 (0.43) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL14876638 0.84 ALDH1A1 (0.67) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL21070644 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMITFSMN1; SMN2
SCHEMBL13261931 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL3165711 0.81 KMT2A (0.50) ALDH1A1MAPTKMT2AKDM4E
SCHEMBL879966 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL3874161 0.80 ALDH1A1 (0.53) ALDH1A1MAPTLMNAPOLBL3MBTL1
SCHEMBL13742117 0.80 ALDH1A1 (0.47) ALDH1A1MAPTLMNAPOLBL3MBTL1

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20230106066-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885
US-12168057-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885MAPT 2459/4885LMNA 1656/4885

“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.