SCHEMBL12898487

SCHEMBL12898487

CB(O)N(B(C)O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCAR3 P49019 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PDE7A Q13946 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
KCNMA1 Q12791 1/20 0.37
MAPT P10636 1/20 0.37
ALDH3A1 P30838 1/20 0.36
HSPB1 P04792 1/20 0.36

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
SCHEMBL4546416 0.83 MAPK1 (0.47) HCAR3L3MBTL1PDE7AALDH1A1MAPT
SCHEMBL1136123 0.76 ATM (0.47) ATMTDP1HCAR3L3MBTL1PDE7A
SCHEMBL26632709 0.75 TDP1 (0.53) ATMTDP1L3MBTL1PDE7AALDH1A1
SCHEMBL16540700 0.74 ATM (0.49) ATMTDP1HCAR3L3MBTL1PDE7A
SCHEMBL6512614 0.74 TDP1 (0.45) ATMTDP1HCAR3L3MBTL1PDE7A
SCHEMBL1135955 0.73 ATM (0.44) ATMTDP1HCAR3L3MBTL1PDE7A
SCHEMBL8341967 0.72 ALDH1A1 (0.50) ATMTDP1HCAR3L3MBTL1PDE7A
SCHEMBL12898485 0.72 KCNMA1 (0.49) ATMTDP1HCAR3L3MBTL1PDE7A
SCHEMBL4732740 0.72 KMT2A (0.55) ATMTDP1HCAR3L3MBTL1KDM4E
SCHEMBL28799519 0.72 HCAR3 (0.44) ATMTDP1HCAR3L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 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 (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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 ATM 3837/4885TDP1 1209/4885HCAR3 427/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 ATM 3163/4885TDP1 980/4885HCAR3 602/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 ATM 3163/4885TDP1 980/4885HCAR3 602/4885

“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.