SCHEMBL2556569

SCHEMBL2556569

Cc1cc(NCCCc2ccccc2)c([N+](=O)[O-])cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
NPC1 O15118 4/20 0.54
KMT2A Q03164 4/20 0.54
HDAC6 Q9UBN7 3/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TRPA1 O75762 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CDK2 P24941 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
WNK1 Q9H4A3 1/20 0.54
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL12290345 0.92 MAPT (0.64) MAPTNPC1KMT2AMEN1ALDH1A1
SCHEMBL2556886 0.90 WNK1 (0.53) MAPTNPC1KMT2AHDAC6MEN1
SCHEMBL2557246 0.90 WNK1 (0.53) MAPTNPC1KMT2AHDAC6MEN1
SCHEMBL2554489 0.88 MAPT (0.49) MAPTNPC1KMT2AHDAC6MEN1
SCHEMBL2556480 0.87 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL12960131 0.86 KDM4E (0.52) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2553696 0.86 MAPT (0.49) MAPTNPC1KMT2AHDAC6MEN1
SCHEMBL1052684 0.85 GSK3A (0.48) MAPTALDH1A1LMNAPKMHTR6
SCHEMBL2554105 0.85 MAPT (0.47) MAPTNPC1KMT2AHDAC6MEN1
SCHEMBL12287574 0.81 WNK1 (0.46) MAPTNPC1KMT2AHDAC6MEN1

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 6 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
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 MAPT 4531/4885NPC1 4483/4885KMT2A 3363/4885

“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.