SCHEMBL7737640

SCHEMBL7737640

COCc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
SNCA P37840 2/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 2/20 0.45
HSPB1 P04792 5/20 0.43
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL28035706 0.86 TDP1 (0.56) TDP1ATMSNCAALDH1A1MAPT
SCHEMBL29362511 0.82 TDP1 (0.60) TDP1ATMSNCAALDH1A1MAPT
SCHEMBL310839 0.82 TDP1 (0.60) TDP1ATMSNCAALDH1A1MAPT
SCHEMBL30797376 0.81 TSHR (0.56) ALDH1A1MAPTMAPK1KDM4EMEN1
SCHEMBL18498675 0.80 ACHE (0.39) ALDH1A1MAPTMAPK1KDM4EMEN1
SCHEMBL863341 0.80 TDP1 (0.53) TDP1ALDH1A1MAPTMAPK1MEN1
SCHEMBL863252 0.80 TSHR (0.53) TDP1ATMALDH1A1MAPTMAPK1
SCHEMBL1028874 0.78 PDGFRB (0.56) TDP1ATMSNCAALDH1A1MAPT
SCHEMBL7158569 0.78 PTGES (0.51) TDP1ATMSNCAALDH1A1MAPT
SCHEMBL17484695 0.78 MAPT (0.49) TDP1ATMSNCAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414001-B2 Ether and amide compounds preparation thereof composition containing same and use thereof as antidiadetics KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2002-07-02 US disclosed
US-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2001-07-19 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 (1 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-20010008898-A1 Ether and amide compounds and preparation of thereof as antidiadetics. SLC5A2, GCG, NCEH1 TDP1 3190/4885ATM 4778/4885SNCA 2166/4885

“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.