SCHEMBL16808018

SCHEMBL16808018

O=CN1c2ccccc2C=Cc2cc(O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 15/20 0.49
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN4A P35499 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
P2RX1 P51575 5/20 0.36
P2RX3 P56373 5/20 0.36
P2RX7 Q99572 2/20 0.36
PTBP1 P26599 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL8911614 0.84 LMNA (0.47) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL2738798 0.75 P2RX4 (0.82) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL4046801 0.65 HSD17B3 (0.58) P2RX4P2RX1P2RX3P2RX7
SCHEMBL4046807 0.65 HSD17B3 (0.58) P2RX4P2RX1P2RX3P2RX7
SCHEMBL20353763 0.64 LMNA (0.42) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL28264764 0.64 P2RX4 (0.36) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL16131301 0.62 P2RX4 (0.77) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL16131286 0.61 P2RX4 (0.69) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL4971001 0.60 LMNA (0.52) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11088295 0.60 P2RX4 (0.43) P2RX4LMNATSHRMAPK1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852678-B1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING BIOGEN MA INC (US) 2017-08-23 EP disclosed
US-20170183378-A1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING BIOGEN MA INC. (US) 2017-06-29 US disclosed
US-9581605-B2 Trapping reagents for reactive metabolites screening BIOGEN MA INC. (US) 2017-02-28 US disclosed
US-20150168430-A1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING BIOGEN IDEC MA INC. (US) 2015-06-18 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 (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-20170183378-A1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING SQOR, TST, AKR7A2 P2RX4 1320/4885LMNA 2548/4885TSHR 853/4885
US-20150168430-A1 TRAPPING REAGENTS FOR REACTIVE METABOLITES SCREENING SQOR, TST, AKR7A2 P2RX4 1138/4885LMNA 2785/4885TSHR 701/4885

“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.