SCHEMBL18940697

SCHEMBL18940697

O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(NC(=S)Nc3cccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.79
ALDH1A1 P00352 5/20 0.79
MAPT P10636 7/20 0.73
POLB P06746 4/20 0.73
MEN1 O00255 4/20 0.70
DDX3X O00571 1/20 0.70
HTT P42858 1/20 0.70
CTDSP1 Q9GZU7 1/20 0.70
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.66
THRB P10828 1/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
PKM P14618 1/20 0.63
BLM P54132 1/20 0.62

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
SCHEMBL5455148 0.98 KMT2A (0.82) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL30434704 0.98 KMT2A (0.82) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL5448052 0.93 ALDH1A1 (0.75) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL30542218 0.92 ALDH1A1 (0.73) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL31492044 0.89 KMT2A (0.73) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL6819562 0.88 KMT2A (0.72) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL6811011 0.87 SMN1; SMN2 (0.81) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL29838541 0.85 POLB (0.68) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL3126901 0.85 SMN1; SMN2 (0.73) KMT2AALDH1A1MAPTPOLBMEN1
SCHEMBL1880400 0.85 POLB (0.68) KMT2AALDH1A1MAPTPOLBMEN1

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-9884812-B2 Use of DDX3X inhibitors for the treatment of pneumovirus infections UNIVERSITY OF WARWICK (GB) 2018-02-06 US disclosed
US-20170166519-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS UNIVERSITY OF WARWICK (GB) 2017-06-15 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-20170166519-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS DDX3X, DDX1, DDX5 KMT2A 2069/4885ALDH1A1 2833/4885MAPT 3569/4885

“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.