SCHEMBL1991890

SCHEMBL1991890

O=Cc1ncc(F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
VCAM1 P19320 2/20 0.35
XDH P47989 1/20 0.35
ERN1 O75460 3/20 0.35
ALDH1A1 P00352 6/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKDC P78527 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE7A Q13946 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1990918 0.84 TDP1 (0.38) TDP1ATMALDH5A1ABATVCAM1
SCHEMBL203719 0.79 ERN1 (0.47) TDP1ALDH5A1ABATVCAM1XDH
SCHEMBL203806 0.79 VCAM1 (0.42) ALDH5A1ABATVCAM1XDHERN1
SCHEMBL29956553 0.79 SMN1; SMN2 (0.51) TDP1ALDH5A1ABATVCAM1XDH
SCHEMBL19712001 0.78 ALDH1A1 (0.49) TDP1ALDH1A1HIF1AKDM4EMAPT
SCHEMBL21596680 0.77 TDP1 (0.44) TDP1ATMVCAM1ALDH1A1HIF1A
SCHEMBL30612243 0.77 TDP1 (0.44) TDP1ATMVCAM1ALDH1A1HIF1A
SCHEMBL10069071 0.76 TDP1 (0.42) TDP1ATMVCAM1ALDH1A1HIF1A
SCHEMBL14859066 0.75 AHR (0.36) TDP1ATMALDH5A1ABATALDH1A1
SCHEMBL1762953 0.74 TDP1 (0.41) TDP1ATMVCAM1ALDH1A1HIF1A

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-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 TDP1 2234/4885ATM 750/4885ALDH5A1 4341/4885

“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.