SCHEMBL1136101

SCHEMBL1136101

CCCSc1ccc(F)cc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ABCB1 P08183 1/20 0.34
TLR8 Q9NR97 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL16528615 0.85 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL19985011 0.80 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4770910 0.77 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL11438100 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL13652191 0.74 PTGS2 (0.39) PTGS2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3628525 0.74 MEN1 (0.54) SLC6A2SLC6A4SLC6A3PTGS2ALDH1A1
SCHEMBL3880672 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL30908393 0.74 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL4808061 0.73 ALDH1A1 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL31541178 0.73 ALDH1A1 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1KMT2A

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 SLC6A2 103/4885SLC6A4 212/4885SLC6A3 4/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885SLC6A3 4/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885SLC6A3 4/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885SLC6A3 4/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 SLC6A2 103/4885SLC6A4 212/4885SLC6A3 4/4885

“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.