SCHEMBL21490289

SCHEMBL21490289

Clc1cc(Br)ccc1Cn1nnc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.75
▸ GRM2 Q14416 5/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ KCNMA1 Q12791 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTK2 Q05397 5/20 0.51
▸ MGAM O43451 2/20 0.48
▸ AMY1A P0DUB6 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ SI P14410 2/20 0.48
▸ MGAM2 Q2M2H8 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL14809085 0.75 PTK2 (0.72) SLC9A1GRM2TDP1ALDH1A1LMNA
SCHEMBL14848341 0.75 MGAM (0.49) SLC9A1KCNMA1ALDH1A1LMNAHPGD
SCHEMBL14307551 0.72 HPGD (0.70) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL2734889 0.72 GRM2 (1.00) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL9303187 0.70 KCNMA1 (0.67) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL3552907 0.70 KCNMA1 (0.67) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL20815428 0.69 KCNMA1 (0.64) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL20246151 0.69 SLC9A1 (0.54) SLC9A1GRM2TDP1KCNMA1ALDH1A1
SCHEMBL3259919 0.68 SLC9A1 (0.66) SLC9A1GRM2TDP1KCNMA1HPGD
SCHEMBL189740 0.68 SLC9A1 (0.68) SLC9A1GRM2TDP1KCNMA1HPGD

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
US-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2023-12-26 — — US disclosed
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 — — US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 — — US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 — — 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 (4 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-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels KCNJ11, KCNJ1, KCNJ8 SLC9A1 227/4885GRM2 1453/4885TDP1 1463/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 SLC9A1 227/4885GRM2 1453/4885TDP1 1463/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 SLC9A1 227/4885GRM2 1453/4885TDP1 1463/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 SLC9A1 227/4885GRM2 1453/4885TDP1 1463/4885

“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.

Send feedback