SCHEMBL18600342

SCHEMBL18600342

C#CCN(Cc1ccc(F)cc1)c1ccc(NC(=O)CNC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 4/20 0.53
KCNQ5 Q9NR82 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2B6 P20813 1/20 0.53
KCNQ2 O43526 1/20 0.51
GAA P10253 2/20 0.43
CETP P11597 3/20 0.42
PYCR1 P32322 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL18600341 0.84 KCNQ4 (0.55) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL18600345 0.83 CYP1A2 (0.59) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL18575369 0.83 ALDH1A1 (0.61) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL23969473 0.82 KCNQ4 (0.56) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL30494445 0.82 KCNQ4 (0.60) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL15996890 0.81 CYP1A2 (0.72) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL18600344 0.81 KCNQ4 (0.60) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL20159076 0.81 KCNQ4 (0.56) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL15997126 0.79 KCNQ4 (0.53) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6
SCHEMBL18575368 0.79 KCNQ4 (0.59) KCNQ4KCNQ5CYP1A2CYP2C8CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138833-B1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-03 EP disclosed
US-10316008-B2 KCNQ potassium channel agonist, and preparation method therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-06-11 US disclosed
US-20180134677-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-05-17 US disclosed
US-20170081301-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONISTS, METHOD OF PREPARATION AND METHOD OF USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-03-23 US disclosed
EP-3138833-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2017-03-08 EP 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 (3 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-20180134677-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF KCNQ5, KCNQ4, KCNQ1 KCNQ4 2/4885KCNQ5 1/4885CYP1A2 1348/4885
US-10316008-B2 KCNQ potassium channel agonist, and preparation method therefor and use thereof KCNQ5, KCNQ4, KCNQ3 KCNQ4 2/4885KCNQ5 1/4885CYP1A2 1139/4885
US-20170081301-A1 NOVEL KCNQ POTASSIUM CHANNEL AGONISTS, METHOD OF PREPARATION AND METHOD OF USE THEREOF KCNQ5, KCNQ4, KCNQ3 KCNQ4 2/4885KCNQ5 1/4885CYP1A2 950/4885

“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.