SCHEMBL17079596

SCHEMBL17079596

CC1CCCCC1NC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 2/20 0.70
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
HTT P42858 4/20 0.60
MAPT P10636 3/20 0.60
POLB P06746 2/20 0.60
DDX3X O00571 2/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.52
BAZ1A Q9NRL2 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL34468086 0.83 RAB9A (1.00) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL12810792 0.81 NPC1 (0.87) NPC1RAB9AMEN1KMT2AHTT
Siduron SCHEMBL4895915 0.79 TAS1R3 (0.66) RAB9AMEN1KMT2AMAPTALDH1A1
Siduron SCHEMBL66323 0.79 TAS1R3 (0.66) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL1047211 0.77 MEN1 (1.00) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL17079594 0.77 KMT2A (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL17084065 0.76 MEN1 (0.96) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL14336428 0.75 KMT2A (0.81) NPC1MEN1KMT2AHTTMAPT
SCHEMBL14503297 0.75 KMT2A (0.75) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL17507347 0.74 KMT2A (0.74) NPC1RAB9AMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015136292-A9 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS UNIVERSITY OF WARWICK (GB) 2022-04-21 WO disclosed
US-9884812-B2 Use of DDX3X inhibitors for the treatment of pneumovirus infections UNIVERSITY OF WARWICK (GB) 2018-02-06 US disclosed
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
US-20170166519-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS UNIVERSITY OF WARWICK (GB) 2017-06-15 US disclosed
EP-3116852-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS University of Warwick (GB) 2017-01-18 EP disclosed
WO-2015136292-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS UNIVERSITY OF WARWICK (GB) 2015-09-17 WO disclosed
WO-2015136292-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS UNIVERSITY OF WARWICK (GB) 2015-09-17 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-20170166519-A1 USE OF DDX3X INHIBITORS FOR THE TREATMENT OF PNEUMOVIRUS INFECTIONS DDX3X, DDX1, DDX5 NPC1 2429/4885RAB9A 873/4885MEN1 2244/4885

“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.