SCHEMBL1136281

SCHEMBL1136281

O=[N+]([O-])c1cc(F)ccc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE5A O76074 1/20 0.44
CYP19A1 P11511 4/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PTGES O14684 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL31021354 0.94 HSPB1 (0.49) HSPB1ATMTDP1MEN1KMT2A
SCHEMBL2069831 0.88 TDP1 (0.49) HSPB1ATMTDP1PDE5ACYP19A1
SCHEMBL9721487 0.87 HSPB1 (0.44) HSPB1ATMTDP1PDE5AMEN1
SCHEMBL955601 0.85 RAB9A (0.45) HSPB1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9721634 0.84 HSPB1 (0.41) HSPB1ATMTDP1PDE5ACYP19A1
SCHEMBL8973852 0.83 CYP19A1 (0.56) HSPB1TDP1PDE5ACYP19A1MEN1
SCHEMBL31122699 0.83 HSPB1 (0.43) HSPB1ATMTDP1
SCHEMBL3575139 0.82 NPY1R (0.45) PDE5ACYP19A1MEN1KMT2APTGES
SCHEMBL30153266 0.82 NPY1R (0.45) PDE5ACYP19A1MEN1KMT2APTGES
SCHEMBL8973738 0.82 CYP19A1 (0.57) HSPB1TDP1PDE5ACYP19A1MEN1

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 10 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
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

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 HSPB1 1699/4885ATM 2983/4885TDP1 2088/4885
US-20140121207-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 HSPB1 1699/4885ATM 2983/4885TDP1 2088/4885
US-20160304461-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 HSPB1 1699/4885ATM 2983/4885TDP1 2088/4885
US-20100130546-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 HSPB1 1699/4885ATM 2983/4885TDP1 2088/4885
US-20150218101-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 HSPB1 1699/4885ATM 2983/4885TDP1 2088/4885

“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.