SCHEMBL535504

SCHEMBL535504

Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
LMNA P02545 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
CTSB P07858 4/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DYRK1A Q13627 1/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL29662541 1.00 MAPT (0.50) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL28758700 0.84 ALDH1A1 (0.55) MAPTALDH1A1TDP1SMN1; SMN2HTT
SCHEMBL29186391 0.81 MAPT (0.47) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL29788822 0.81 NOS3 (0.43) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL2473152 0.81 NOS3 (0.43) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL2551316 0.81 TDP1 (0.51) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL535781 0.80 MAPT (0.44) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL1981976 0.80 DYRK1A (0.41) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL31086675 0.80 DYRK1A (0.41) MAPTLMNAALDH1A1TDP1HTT
SCHEMBL2554438 0.80 DYRK1A (0.42) MAPTLMNAALDH1A1TDP1SMN1; SMN2

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717162-A Urea derivatives as kinase inhibitors 奥苏拉收购有限公司 2021-11-30 CN disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
EP-2509595-B1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD (GB) 2018-04-11 EP disclosed
US-9890185-B2 Urea derivatives useful as kinase inhibitors RESPIVERT LIMITED (GB) 2018-02-13 US disclosed
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 US disclosed
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 US disclosed
EP-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2010112936-A1 P38MAP KINASE INHIBITOR RESPIVERT LIMITED (GB) 2010-10-07 WO disclosed
WO-2010112936-A1 P38MAP KINASE INHIBITOR RESPIVERT LIMITED (GB) 2010-10-07 WO disclosed
WO-2010067130-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 WO disclosed
WO-2010067130-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 WO disclosed
WO-2010067131-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 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 (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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R MAPT 2621/4885LMNA 1997/4885ALDH1A1 755/4885
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, PHKG1 MAPT 4618/4885LMNA 2027/4885ALDH1A1 3995/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 MAPT 1600/4885LMNA 2580/4885ALDH1A1 1809/4885

“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.