SCHEMBL6489968

SCHEMBL6489968

O=[N+]([O-])c1ccc(F)cc1CCO

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SNCA P37840 4/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CHEK1 O14757 1/20 0.39
HSPB1 P04792 2/20 0.39
FBP1 P09467 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE7A Q13946 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL5740951 0.88 TDP1 (0.52) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL1414035 0.86 ATM (0.58) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL27780316 0.83 TDP1 (0.55) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL311445 0.83 ATM (0.55) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL17870695 0.83 TDP1 (0.59) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL5194061 0.83 TDP1 (0.55) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL26803674 0.81 ATM (0.49) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL9477777 0.81 BACE1 (0.47) SNCAALDH1A1TSHRCYP1A2L3MBTL1
SCHEMBL310839 0.80 TDP1 (0.60) ATMTDP1SNCAALDH1A1MAPT
SCHEMBL29362511 0.80 TDP1 (0.60) ATMTDP1SNCAALDH1A1MAPT

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-20240246977-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHOD OF USE BEONE MEDICINES I GMBH (CH) 2024-07-25 US disclosed
CN-116981675-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-10-31 CN disclosed
WO-2022143856-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-07-07 WO disclosed
WO-2022143856-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-07-07 WO disclosed
US-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 US disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 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 (2 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-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 ATM 3474/4885TDP1 1125/4885SNCA 1714/4885
US-20240246977-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHOD OF USE BTK, CBL, SYK ATM 1075/4885TDP1 1237/4885SNCA 4016/4885

“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.