SCHEMBL2557693

SCHEMBL2557693

Cc1ccc(NCCCc2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
IDH1 O75874 1/20 0.47
PPIA P62937 1/20 0.46
MAPT P10636 7/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2556480 0.81 MAPT (0.54) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL1947951 0.78 ALDH1A1 (0.51) KMT2AALDH1A1HPGDPPIAMAPT
SCHEMBL12287414 0.78 MCHR1 (0.46) KMT2AALDH1A1IDH1MAPTMEN1
SCHEMBL31129960 0.76 MAPT (0.56) KMT2AALDH1A1HPGDPPIAMAPT
SCHEMBL2938667 0.76 MEN1 (0.54) KMT2AALDH1A1HPGDPPIAMAPT
SCHEMBL22894161 0.73 CHRM1 (0.56) KMT2AALDH1A1HPGDMAPTMEN1
SCHEMBL20707091 0.73 ALDH1A1 (0.55) KMT2AALDH1A1HPGDMAPTMEN1
SCHEMBL14659532 0.73 MAPT (0.48) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL4954691 0.72 ALDH1A1 (0.54) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL3648149 0.72 CNR1 (0.56) ALDH1A1MAPTLMNAHTTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KMT2A 3363/4885ALDH1A1 871/4885HPGD 345/4885

“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.