SCHEMBL3633360

SCHEMBL3633360

NCCCc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
KAT2B Q92831 7/20 0.38
ALDH1A1 P00352 3/20 0.38
SNCA P37840 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH3A1 P30838 1/20 0.37
VCAM1 P19320 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
GART P22102 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL6870230 0.83 TDP1 (0.42) MEN1KMT2ARAB9ATDP1ATM
SCHEMBL4086162 0.83 ATM (0.53) TDP1ATMKAT2BALDH1A1HIF1A
SCHEMBL3515439 0.81 ATM (0.56) TDP1ATMKAT2BALDH1A1SNCA
SCHEMBL3633384 0.81 KAT2B (0.43) TDP1KAT2BALDH1A1SNCACYP1A2
SCHEMBL7653031 0.80 CYP1A2 (0.49) MEN1KMT2ATDP1ATMALDH1A1
SCHEMBL1170113 0.77 ATM (0.50) MEN1KMT2ARAB9ATDP1ATM
SCHEMBL3631569 0.76 ALDH1A1 (0.46) MEN1KMT2ARAB9ATDP1ALDH1A1
SCHEMBL2073746 0.76 SNCA (0.46) MEN1KMT2ARAB9ATDP1ATM
SCHEMBL3636229 0.75 KAT2B (0.57) MEN1KMT2ARAB9AKAT2B
SCHEMBL27964024 0.74 ALDH1A1 (0.58) MEN1KMT2ARAB9AKAT2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 MEN1 2460/4885KMT2A 3032/4885RAB9A 3471/4885

“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.