SCHEMBL3242167

SCHEMBL3242167

Cc1cccc2c1CCN(C(=O)CCC(=O)Nc1ccccc1Cl)C2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HHAT Q5VTY9 2/20 0.41
▸ CCKBR P32239 1/20 0.41

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
SCHEMBL30795671 1.00 POLB (0.43) POLBTP53ALDH1A1KDM4EHTT
SCHEMBL30794386 0.89 TP53 (0.45) POLBTP53ALDH1A1HTTMEN1
SCHEMBL3242926 0.89 TP53 (0.45) POLBTP53ALDH1A1HTTMEN1
SCHEMBL30795471 0.85 HHAT (0.53) MEN1KMT2AHHAT
SCHEMBL3229592 0.85 HHAT (0.53) MEN1KMT2AHHAT
SCHEMBL30795291 0.82 TP53 (0.50) TP53ALDH1A1HTTMEN1KMT2A
SCHEMBL3242955 0.82 TP53 (0.50) TP53ALDH1A1HTTMEN1KMT2A
SCHEMBL3238924 0.82 HHAT (0.43) ALDH1A1KDM4EHTTHHAT
SCHEMBL30794736 0.82 LMNA (0.46) TP53ALDH1A1SMN1; SMN2KMT2AHHAT
SCHEMBL30796399 0.82 HHAT (0.43) ALDH1A1KDM4EHTTHHAT

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
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 — — US claimed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 — — US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 — — US disclosed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 — — 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-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators KCNAB1, KCNQ2, KCNQ1 POLB 3751/4885TP53 4703/4885ALDH1A1 2801/4885

“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.

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