SCHEMBL15829456

SCHEMBL15829456

CC(C)(C)OC(=O)Nc1ccc2cc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
LEF1 Q9UJU2 1/20 0.43
CFTR P13569 1/20 0.43
JAK2 O60674 1/20 0.41
MAPK14 Q16539 3/20 0.41
CYP17A1 P05093 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KAT6A Q92794 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
PSMB8 P28062 1/20 0.38
NAMPT P43490 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
RAF1 P04049 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL15829326 0.89 CFTR (0.53) CA12CA1CA9LEF1CFTR
SCHEMBL20125132 0.88 CA12 (0.47) CA12CA1CA9LEF1JAK2
SCHEMBL3035898 0.83 LEF1 (0.49) CA12CA1CA9LEF1JAK2
SCHEMBL3031344 0.82 LEF1 (0.61) CA12CA1CA9LEF1JAK2
SCHEMBL16380894 0.82 CA12 (0.42) CA12CA1CA9LEF1JAK2
SCHEMBL15213102 0.81 MAOA (0.56) CA12CA1CA9CFTR
SCHEMBL30937482 0.78 MAOA (0.56)
SCHEMBL2076885 0.78 MAOA (0.56)
SCHEMBL16756055 0.77 MAOB (0.58) CA12CA1CA9LEF1ALDH1A1
SCHEMBL7366432 0.76 ALDH1A1 (0.57) ALDH1A1GAAMAP4K4

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 CA12 3638/4885CA1 2361/4885CA9 1916/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA1 2361/4885CA9 1916/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA1 2361/4885CA9 1916/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA1 2361/4885CA9 1916/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3657/4885CA1 2406/4885CA9 1913/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CA12 3638/4885CA1 2361/4885CA9 1916/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CA12 3803/4885CA1 2453/4885CA9 2089/4885

“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.