SCHEMBL17207333

SCHEMBL17207333

O=[N+]([O-])c1c(OBO)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.58
TSHR P16473 1/20 0.53
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.42
S100A4 P26447 1/20 0.41
HPRT1 P00492 1/20 0.41
HSP90AA1 P07900 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HNF4A P41235 3/20 0.39

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
SCHEMBL29625716 0.80 NCEH1 (0.64) NCEH1TSHRCYP3A4ALDH1A1HPRT1
SCHEMBL4594864 0.80 NCEH1 (0.64) NCEH1TSHRCYP3A4ALDH1A1HPRT1
SCHEMBL8558969 0.78 NCEH1 (0.58) NCEH1TSHRCYP3A4ALDH1A1HSP90AA1
SCHEMBL11870524 0.77 NCEH1 (0.68) NCEH1TSHRCYP3A4ALDH1A1S100A4
SCHEMBL11623131 0.77 NCEH1 (0.72) NCEH1TSHRCYP3A4ALDH1A1HSP90AA1
SCHEMBL8623033 0.74 NCEH1 (0.57) NCEH1TSHRCYP3A4ALDH1A1S100A4
SCHEMBL8807928 0.74 NCEH1 (0.50) NCEH1TSHRCYP3A4ALDH1A1S100A4
SCHEMBL30731238 0.74 NCEH1 (0.50) NCEH1TSHRCYP3A4ALDH1A1S100A4
SCHEMBL767775 0.73 TSHR (0.62) NCEH1TSHRCYP3A4ALDH1A1S100A4
SCHEMBL10000556 0.71 NCEH1 (0.53) NCEH1TSHRCYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 US 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-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER EMC2, AOC2, MCM5 NCEH1 2821/4885TSHR 4736/4885CYP3A4 1429/4885

“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.