SCHEMBL5382853

SCHEMBL5382853

CNc1ccc([N+](=O)[O-])c2ocnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.40
HTT P42858 2/20 0.38
IDO1 P14902 4/20 0.38
MAPT P10636 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL20836034 0.76 TDP1 (0.41) HTTIDO1MAPTKMT2AMEN1
SCHEMBL7858944 0.73 MAPT (0.42) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL612306 0.73 IDO1 (0.65) HTTIDO1MAPTKMT2AMEN1
SCHEMBL7207029 0.70 ALDH1A1 (0.50) HTTIDO1MAPTKMT2AMEN1
SCHEMBL1557360 0.66 HCAR3 (0.49) HCAR3HTTMAPTKMT2AMEN1
SCHEMBL7254456 0.66 POLB (0.49) HTTKMT2AMEN1ALDH1A1POLB
SCHEMBL28560281 0.65 TDP1 (0.57) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL6685709 0.65 IDO1 (0.36) HCAR3HTTIDO1MAPTKMT2A
SCHEMBL6142555 0.64 TDP1 (0.48) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL3814746 0.64 TDP1 (0.55) HCAR3HTTIDO1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297495-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2007-11-20 US disclosed
US-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES INC. (US) 2007-07-19 US disclosed
US-6951930-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20030113765-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2003-06-19 US disclosed
US-6472153-B1 COVALENTLY BOUND OLIGONUCLEOTIDE/MINOR GROOVE BINDER/LATENT FLUOROPHORE COMBINATION EPOCH BIOSCIENCES, INC. 2002-10-29 US disclosed
EP-1224332-A1 HYBRIDIZATION-TRIGGERED FLUORESCENT DETECTION OF NUCLEIC ACIDS Epoch Biosciences, Inc. (US) 2002-07-24 EP disclosed
WO-2001031063-A1 HYBRIDIZATION-TRIGGERED FLUORESCENT DETECTION OF NUCLEIC ACIDS EPOCH BIOSCIENCES, INC. (US) 2001-05-03 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 (2 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-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids DDX21, RNGTT, NOP2 HCAR3 688/4885HTT 261/4885IDO1 4747/4885
US-20030113765-A1 Hybridization-triggered fluorescent detection of nucleic acids DDX21, RNGTT, NOP2 HCAR3 688/4885HTT 261/4885IDO1 4747/4885

“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.