SCHEMBL1136053

SCHEMBL1136053

CCCOc1ccc(F)c2c(=O)c(-c3ccc(Cl)cc3Cl)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 1/20 0.36
MDM2 Q00987 1/20 0.35
S1PR4 O95977 3/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK2A1 P68400 2/20 0.34
GCGR P47871 1/20 0.34
CHEK1 O14757 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL1136173 0.91 ALDH1A1 (0.43) ALDH1A1PKMHPGDTSHRMAPT
SCHEMBL2427556 0.89 KMT2A (0.39) ALDH1A1PKMKMT2AMDM2S1PR4
SCHEMBL2434676 0.89 MAPT (0.37) ALDH1A1PKMKMT2AMDM2S1PR4
SCHEMBL1136169 0.83 PTGS2 (0.41) ALDH1A1PKMCSNK2A1
SCHEMBL1135964 0.81 MAOB (0.39) ALDH1A1PKM
SCHEMBL2427472 0.81 ADRB3 (0.46) ALDH1A1PKMKMT2AMDM2HPGD
SCHEMBL1136104 0.81 PDE4D (0.37) ALDH1A1PKMHPGD
SCHEMBL1136159 0.80 MAOB (0.36) ALDH1A1PKM
SCHEMBL1136374 0.80 EGFR (0.38) ALDH1A1KMT2AHPGDTSHRMAPT
SCHEMBL1136199 0.80 PDE4D (0.41) ALDH1A1PKMKMT2AHPGDL3MBTL1

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 24 patents — showing the first 20. 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 claimed
US-9403773-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-02 US claimed
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 US claimed
US-9045464-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-02 US claimed
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-01 US claimed
US-8642619-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US claimed
US-20120316168-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-13 US claimed
US-8269011-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-18 US claimed
EP-2152699-B1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP claimed
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US claimed
EP-2152699-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP claimed
WO-2008150029-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 WO claimed
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
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
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 ALDH1A1 692/4885PKM 2435/4885KMT2A 1903/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 ALDH1A1 692/4885PKM 2435/4885KMT2A 1903/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 ALDH1A1 692/4885PKM 2435/4885KMT2A 1903/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 ALDH1A1 692/4885PKM 2435/4885KMT2A 1903/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 ALDH1A1 692/4885PKM 2435/4885KMT2A 1903/4885

“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.