SCHEMBL3242804

SCHEMBL3242804

Cc1cc(C)c2c(c1)C(c1ccccc1)N(C(=O)CCC(=O)NCc1ccccn1)CC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ TSHR P16473 1/20 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
SCHEMBL30795397 1.00 KMT2A (0.45) KMT2AL3MBTL1MEN1GAAMAPT
SCHEMBL30814179 0.90 L3MBTL1 (0.46) KMT2AL3MBTL1MEN1GAAMAPT
SCHEMBL3235204 0.90 L3MBTL1 (0.46) KMT2AL3MBTL1MEN1GAAMAPT
SCHEMBL30795885 0.87 LMNA (0.45) L3MBTL1GAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3235177 0.87 LMNA (0.45) L3MBTL1GAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30794795 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1GAAMAPT
SCHEMBL3238034 0.87 L3MBTL1 (0.45) KMT2AL3MBTL1MEN1GAAMAPT
SCHEMBL3229571 0.84 KIF11 (0.44) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL30795430 0.84 KIF11 (0.44) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL3241959 0.83 HPGD (0.42) KMT2AL3MBTL1MEN1GAAMAPT

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-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
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 KMT2A 330/4885L3MBTL1 3551/4885MEN1 1978/4885

“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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