SCHEMBL865610

SCHEMBL865610

CNc1cc(Cl)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 3/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
HCAR3 P49019 1/20 0.45
PPIA P62937 1/20 0.42
VCAM1 P19320 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL11821440 0.93 HCAR3 (0.45) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL932509 0.87 MAPT (0.49) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL21723290 0.86 LMNA (0.45) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL11821865 0.85 MAPT (0.53) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL7406233 0.84 PPIA (0.41) MAPTALDH1A1KMT2AMAPK1MEN1
Hydrochloric Acid SCHEMBL28168836 0.83 PPIA (0.40) MAPTALDH1A1KMT2AMAPK1MEN1
SCHEMBL5606205 0.81 MAPT (0.49) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL10893806 0.81 ALDH1A1 (0.49) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL8349171 0.81 ALDH1A1 (0.45) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL430885 0.81 MAPT (0.44) MAPTALDH1A1POLBHTTKMT2A

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-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MAPT 4674/4885ALDH1A1 807/4885POLB 1461/4885

“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.