SCHEMBL3449671

SCHEMBL3449671

CC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 4/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
TTR P02766 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3300905 0.86 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL405926 0.86 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL29722774 0.86 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL16449123 0.85 MAPT (0.43) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL28551635 0.84 MAPT (0.45) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL9064586 0.83 MAPT (0.44) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL1285715 0.82 AR (0.44) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL10285834 0.82 HRAS (0.48) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL2928075 0.81 ALDH1A1 (0.44) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL6675027 0.81 MAPT (0.47) MAPTGAAKDM4EALDH1A1KMT2A

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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 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 (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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 MAPT 4806/4885GAA 2714/4885KDM4E 2122/4885

“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.