SCHEMBL18190386

SCHEMBL18190386

COCOc1cccc(OC(F)(F)F)c1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1606856 0.86 PTPN1 (0.42) PTPN1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL2322334 0.82 RXRA (0.46) PTPN1KCNK3KCNK9RXRARXRB
SCHEMBL29860268 0.82 RXRA (0.46) PTPN1KCNK3KCNK9RXRARXRB
SCHEMBL2046409 0.80 SMN1; SMN2 (0.44) PTPN1ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL3719912 0.80 CLCN2 (0.36) PTPN1KCNK3KCNK9RXRARXRB
SCHEMBL20830508 0.80 PIM1 (0.40) PTPN1KCNK3KCNK9RXRARXRB
SCHEMBL1768424 0.79 RXRA (0.35) RXRARXRBRXRGSCN9AHDAC3
SCHEMBL29122166 0.76 BACE1 (0.36) PTPN1KCNK3KCNK9RXRARXRB
SCHEMBL6932234 0.75 PTPN1 (0.49) PTPN1RXRARXRBRXRGALDH1A1
SCHEMBL3710624 0.75 ALDH1A1 (0.44) PTPN1KCNK3KCNK9RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 CN disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 US disclosed
EP-3288936-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2018-03-07 EP disclosed
WO-2016176449-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 WO 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 (2 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-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators GRIN1, GABRE, GRIN3A PTPN1 2565/4885KCNK3 421/4885KCNK9 722/4885
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GABRE, GRIN3A PTPN1 2565/4885KCNK3 421/4885KCNK9 722/4885

“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.