SCHEMBL9995175

SCHEMBL9995175

Nc1nccc(CO)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
NOD2 Q9HC29 1/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MGMT P16455 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
NPY1R P25929 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRMT1 Q99873 1/20 0.36
ADK P55263 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL9987621 0.87 HTT (0.40) HTTMAPTKDM4EMITFNOD2
SCHEMBL5145767 0.84 MAPT (0.47) HTTMAPTKDM4EMITFNOD2
SCHEMBL8598075 0.83 HTT (0.42) HTTMAPTKDM4EMITFNOD2
SCHEMBL8558130 0.80 NOS2 (0.44) HTTMAPTKDM4EMITFNOD2
SCHEMBL29284605 0.79 ALDH1A1 (0.37) HTTMAPTKDM4ELMNASMN1; SMN2
SCHEMBL8602838 0.79 HTT (0.39) HTTMAPTKDM4EMITFNOD2
SCHEMBL27766587 0.78 HTT (0.44) HTTMAPTKDM4EMITFNOD2
SCHEMBL8568481 0.78 HTT (0.50) HTTMAPTKDM4EMITFNOD2
SCHEMBL8565505 0.77 MAPT (0.45) HTTMAPTKDM4EMITFNOD2
SCHEMBL16919103 0.76 GFER (0.41) HTTMAPTKDM4EMITFNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358445-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2019-07-23 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
EP-2582700-B1 RESPIRATORY FORMULATIONS CONTAINING P38 MAPK INHIBITORS RESPIVERT LTD (GB) 2016-11-02 EP disclosed
EP-2582700-B1 RESPIRATORY FORMULATIONS CONTAINING P38 MAPK INHIBITORS RESPIVERT LTD (GB) 2016-11-02 EP disclosed
US-8933228-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2015-01-13 US disclosed
US-8933228-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2015-01-13 US disclosed
US-8933228-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2015-01-13 US disclosed
US-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2013-06-20 US disclosed
US-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2013-06-20 US disclosed
US-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2013-06-20 US disclosed
EP-2582700-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN Respivert Limited (GB) 2013-04-24 EP disclosed
WO-2011158044-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2011-12-22 WO disclosed
WO-2011158044-A2 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN RESPIVERT LIMITED (GB) 2011-12-22 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 (3 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-20130156826-A1 RESPIRATORY FORMULATIONS AND COMPOUNDS FOR USE THEREIN TSLP, CCL11, RORB HTT 4326/4885MAPT 2321/4885KDM4E 4101/4885
US-10358445-B2 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB HTT 4326/4885MAPT 2321/4885KDM4E 4101/4885
US-20180201611-A1 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB HTT 4326/4885MAPT 2321/4885KDM4E 4101/4885

“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.