SCHEMBL22260641

SCHEMBL22260641

CCCCCCC(CC)c1cnccc1Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
NAAA Q02083 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL22260141 0.87 KDM4E (0.37)
SCHEMBL22260121 0.82 NR1I2 (0.38) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL20621443 0.81 TDP1 (0.37) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL21142338 0.81 TDP1 (0.37) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL23219779 0.79 NR1I2 (0.38) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL22260101 0.79 NR1I2 (0.38) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL19405299 0.78 NR1I2 (0.36) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL18635979 0.76 TDP1 (0.38) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL18855230 0.76 TDP1 (0.38) NR1I2TDP1L3MBTL1KCNA5KCNH2
SCHEMBL18879385 0.76 TDP1 (0.34) NR1I2TDP1L3MBTL1KCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-23 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 (1 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-20200231607-A1 TRISUBSTITUTEDSILYLHETEROARYLOXYQUINOLINES AND ANALOGUES PIK3C3, ERG28, DDT NR1I2 3733/4885TDP1 1169/4885L3MBTL1 1828/4885

“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.