SCHEMBL15829326

SCHEMBL15829326

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(C)(C)C)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
LEF1 Q9UJU2 1/20 0.53
MAOB P27338 5/20 0.44
MAOA P21397 4/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
KCNQ2 O43526 1/20 0.42
SYK P43405 3/20 0.42
MMP13 P45452 1/20 0.41
MAPK14 Q16539 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL15829456 0.89 CA12 (0.43) CFTRLEF1CA12CA1CA9
SCHEMBL16756055 0.88 MAOB (0.58) LEF1MAOBMAOACA12CA1
SCHEMBL17055701 0.84 LEF1 (0.53) LEF1MAOBMAOACA12CA1
SCHEMBL3030225 0.83 LEF1 (0.60) LEF1MAOBMAOACA12CA1
SCHEMBL13311254 0.82 LEF1 (0.59) LEF1MAOBMAOACA12CA1
SCHEMBL12393121 0.82 LEF1 (0.51) CFTRLEF1MAOBMAOACA12
SCHEMBL6617416 0.82 LEF1 (0.74) LEF1CA12CA1CA9KCNQ2
SCHEMBL16380901 0.82 LEF1 (0.51) CFTRLEF1MAOBMAOACA12
SCHEMBL30937482 0.81 MAOA (0.56) MAOBMAOANPC1MAPTRAB9A
SCHEMBL2076885 0.81 MAOA (0.56) MAOBMAOANPC1MAPTRAB9A

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
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP 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 CFTR 8/4885LEF1 2115/4885MAOB 4060/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CFTR 8/4885LEF1 2115/4885MAOB 4060/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CFTR 8/4885LEF1 2115/4885MAOB 4060/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CFTR 8/4885LEF1 2115/4885MAOB 4060/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CFTR 8/4885LEF1 2259/4885MAOB 4037/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CFTR 8/4885LEF1 2115/4885MAOB 4060/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CFTR 8/4885LEF1 2203/4885MAOB 3978/4885

“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.