SCHEMBL15829458

SCHEMBL15829458

CC(C)(C)c1cc2c(CN)cccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40
KIF11 P52732 3/20 0.37
HTR1D P28221 1/20 0.35
HTR2B P41595 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MPO P05164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PNMT P11086 1/20 0.32
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5728764 0.81 GAA (0.46) DAODDOHTR2BKDM4ELOXL2
SCHEMBL15828659 0.81 CYP2C19 (0.41) DAODDOKIF11HTR1DHTR2B
SCHEMBL15829355 0.77 PARP1 (0.42) KIF11KDM4EMAPTNPSR1CYP1A2
SCHEMBL24974318 0.75 KIF11 (0.53) DAODDOKIF11CHRNB2CHRNA7
SCHEMBL15829262 0.75 DAO (0.50) DAODDOKIF11KDM4EMAPT
SCHEMBL12829202 0.75 EGFR (0.45) DAODDOKIF11KDM4EMAPT
SCHEMBL15829264 0.74 DAO (0.49) DAOKIF11KDM4ECYP1A2GAA
SCHEMBL1464811 0.74 DAO (0.49) DAODDOKIF11KDM4EMAPT
SCHEMBL12755282 0.74 IMPDH2 (0.43) DAODDOKIF11KDM4E
SCHEMBL12755269 0.74 AHR (0.46) KIF11KDM4ECYP1A2GAA

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-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-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 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 (8 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 DAO 297/4885DDO 873/4885KIF11 1469/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885DDO 873/4885KIF11 1469/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885DDO 873/4885KIF11 1469/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885DDO 873/4885KIF11 1469/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP DAO 290/4885DDO 922/4885KIF11 1693/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 316/4885DDO 923/4885KIF11 1498/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 DAO 297/4885DDO 873/4885KIF11 1469/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 DAO 264/4885DDO 914/4885KIF11 1324/4885

“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.