SCHEMBL6450437

SCHEMBL6450437

CC(C)(C)c1cc(Cl)c2[nH]c(=O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
F11 P03951 1/20 0.39
AKR1B1 P15121 2/20 0.35
DAO P14920 1/20 0.35
MAPT P10636 1/20 0.35
PDE2A O00408 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
GRIN2C Q14957 1/20 0.33
HCAR1 Q9BXC0 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP2C19 P33261 1/20 0.32
AR P10275 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 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
SCHEMBL15828553 0.83 CA12 (0.41) CA12CA9F11DAOMAPT
SCHEMBL15828546 0.80 CA12 (0.50) CA12CA9F11DAOPDE2A
SCHEMBL6365134 0.80 CA12 (0.50) CA12CA9F11SCN9ASCN5A
SCHEMBL15828551 0.79 NQO2 (0.41) CA12CA9MAPTGRIN2CHCAR1
SCHEMBL15828550 0.78 HCAR1 (0.37) CA12CA9HCAR1AR
SCHEMBL12559818 0.77 CA12 (0.55) CA12CA9F11AKR1B1DAO
SCHEMBL30022843 0.77 CA12 (0.55) CA12CA9F11AKR1B1DAO
SCHEMBL29153243 0.77 CA12 (0.58) CA12CA9F11AKR1B1DAO
SCHEMBL15828549 0.76 CA12 (0.36) CA12CA9AR
SCHEMBL15829257 0.76 CA12 (0.36) CA12CA9DAOSCN9ASCN5A

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 19 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-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-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-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-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-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-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
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 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 (9 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 CA12 3638/4885CA9 1916/4885F11 624/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885F11 624/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885F11 624/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885F11 624/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP CA12 3630/4885CA9 2054/4885F11 621/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3657/4885CA9 1913/4885F11 635/4885
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B CA12 4303/4885CA9 3229/4885F11 1273/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA9 1916/4885F11 624/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CA12 3803/4885CA9 2089/4885F11 662/4885

“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.