SCHEMBL1048663

SCHEMBL1048663

Cc1cc(NCCCc2ccccn2)c([N+](=O)[O-])cc1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.60
MAPT P10636 4/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.48
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CTSB P07858 1/20 0.44
APP P05067 1/20 0.44
KAT2B Q92831 4/20 0.43
BCL2L1 Q07817 1/20 0.41
BAK1 Q16611 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2556569 0.81 MAPT (0.62) PKMMAPTLMNAALDH1A1KAT2B
SCHEMBL1048773 0.79 GSK3A (0.49) PKMLMNAALDH1A1GSK3AGSK3B
SCHEMBL1052684 0.78 GSK3A (0.48) PKMMAPTLMNAALDH1A1GSK3A
SCHEMBL17735529 0.76 MAPT (0.55) MAPTLMNAALDH1A1GSK3AGSK3B
SCHEMBL12290345 0.76 MAPT (0.64) PKMMAPTALDH1A1
SCHEMBL4122712 0.76 PKM (0.73) PKMMAPTLMNAALDH1A1CTSB
SCHEMBL14334902 0.75 MAPT (0.60) PKMMAPTLMNAALDH1A1KAT2B
SCHEMBL29959789 0.75 MAPT (0.60) PKMMAPTLMNAALDH1A1KAT2B
SCHEMBL4844382 0.75 ALDH1A1 (0.70) PKMMAPTLMNAALDH1A1
SCHEMBL2556480 0.74 MAPT (0.54) PKMMAPTLMNAALDH1A1KAT2B

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
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO disclosed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS PKM 4015/4885MAPT 4674/4885LMNA 3529/4885

“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.