SCHEMBL15829263

SCHEMBL15829263

CC(C)(C)c1cc2cccc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.56
MAPT P10636 6/20 0.48
MAPK1 P28482 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
PLCG2 P16885 2/20 0.48
HRH4 Q9H3N8 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 3/20 0.46
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
CYP2C19 P33261 1/20 0.46
NOS2 P35228 1/20 0.46

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
SCHEMBL6196504 0.82 APEX1 (0.60) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL7090153 0.77 APEX1 (0.62) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL28592519 0.77 APEX1 (0.62) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL28798246 0.77 APEX1 (0.62) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL16380971 0.75 APEX1 (0.56) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL15829455 0.75 HRH4 (0.48) MAPTMAPK1NPC1RAB9AHRH4
SCHEMBL27942207 0.73 APEX1 (0.57) APEX1MAPTMAPK1NPC1RAB9A
SCHEMBL17811240 0.73 KIF11 (0.44) HRH4TDP1TSHRSMN1; SMN2KDM4E
SCHEMBL12755271 0.73 DAO (0.50) MAPTHRH4KDM4ECYP1A2HPGD
SCHEMBL1277212 0.72 APEX1 (1.00) APEX1MAPTMAPK1NPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 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 (7 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APEX1 1395/4885MAPT 4550/4885MAPK1 732/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APEX1 1395/4885MAPT 4550/4885MAPK1 732/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APEX1 1395/4885MAPT 4550/4885MAPK1 732/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APEX1 1395/4885MAPT 4550/4885MAPK1 732/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APEX1 1318/4885MAPT 4588/4885MAPK1 724/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APEX1 1395/4885MAPT 4550/4885MAPK1 732/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 APEX1 1525/4885MAPT 4051/4885MAPK1 735/4885

“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.