SCHEMBL1990918

SCHEMBL1990918

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
ATM Q13315 1/20 0.38
PIM1 P11309 1/20 0.37
ALDH1A1 P00352 5/20 0.33
HIF1A Q16665 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
PDE7A Q13946 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
VCAM1 P19320 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL1991890 0.84 TDP1 (0.39) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL204942 0.79 PIM1 (0.40) PIM1ALDH1A1PDE7AVCAM1MEN1
SCHEMBL204607 0.79 ERN1 (0.39) TDP1PIM1ALDH1A1HTTRAB9A
SCHEMBL19172679 0.79 SMN1; SMN2 (0.50) TDP1PIM1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30612243 0.76 TDP1 (0.44) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL21596680 0.76 TDP1 (0.44) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL10069071 0.74 TDP1 (0.42) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL1762953 0.73 TDP1 (0.41) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL15227386 0.73 TDP1 (0.41) TDP1ATMALDH1A1HIF1APDE7A
SCHEMBL3840189 0.73 TDP1 (0.41) TDP1ATMALDH1A1HIF1APDE7A

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
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

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 750/4885PIM1 408/4885

“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.