SCHEMBL1136110

SCHEMBL1136110

NCCCOc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.52
HSPB1 P04792 5/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.45
ALPG P10696 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.43
S1PR4 O95977 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL6494276 0.86 NPC1 (0.51) PRSS1HSPB1NPC1RAB9ARECQL
SCHEMBL9721850 0.85 PRSS1 (0.52) PRSS1HSPB1NPC1RAB9ARECQL
SCHEMBL17208746 0.83 PRSS1 (0.54) PRSS1HSPB1NPC1RAB9ARECQL
SCHEMBL1136016 0.83 MAPT (0.53) PRSS1HSPB1NPC1RAB9ARECQL
SCHEMBL27778855 0.83 NPC1 (0.51) PRSS1HSPB1NPC1RAB9ARECQL
SCHEMBL1136140 0.82 NPC1 (0.47) PRSS1HSPB1NPC1RAB9ARECQL
SCHEMBL1136339 0.82 NPC1 (0.54) HSPB1NPC1RAB9ARECQLMAPT
SCHEMBL10113297 0.81 NPC1 (0.77) NPC1RAB9ARECQLTDP1MAPT
Hydrochloric Acid SCHEMBL514377 0.81 ALDH1A1 (0.61) TDP1MAPTLMNAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL515005 0.81 S1PR4 (0.58) PRSS1NPC1RAB9ARECQLMAPT

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-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-10-20 US disclosed
US-9403773-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-02 US disclosed
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 US disclosed
US-9045464-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-02 US disclosed
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-01 US disclosed
US-8642619-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
US-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-13 US disclosed
US-8269011-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-18 US disclosed
CN-101679392-B Quinolone compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2012-05-30 CN disclosed
EP-2152699-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
CN-101679392-A Quinolone compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2010-03-24 CN disclosed
EP-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP disclosed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (5 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-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PRSS1 2300/4885HSPB1 1699/4885NPC1 1018/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PRSS1 2300/4885HSPB1 1699/4885NPC1 1018/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PRSS1 2300/4885HSPB1 1699/4885NPC1 1018/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PRSS1 2300/4885HSPB1 1699/4885NPC1 1018/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 PRSS1 2300/4885HSPB1 1699/4885NPC1 1018/4885

“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.