SCHEMBL13617262

SCHEMBL13617262

CC(C)(C)C(=O)NCCn1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 1/20 0.51
QPCT Q16769 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TBXAS1 P24557 4/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL13605159 0.91 L3MBTL1 (0.74) L3MBTL1LMNAQPCTALDH1A1MEN1
SCHEMBL25591200 0.89 L3MBTL1 (0.68) L3MBTL1LMNAQPCTALDH1A1MEN1
SCHEMBL4399230 0.81 ALDH1A1 (0.54) L3MBTL1QPCTALDH1A1TBXAS1EGLN3
SCHEMBL12384361 0.81 ALDH1A1 (0.51) L3MBTL1LMNAQPCTALDH1A1MEN1
SCHEMBL5052775 0.80 L3MBTL1 (0.49) L3MBTL1LMNAQPCTALDH1A1MEN1
SCHEMBL3051649 0.80 EGLN3 (0.59) L3MBTL1QPCTALDH1A1TBXAS1EGLN3
SCHEMBL15014468 0.79 KDM4E (0.55) L3MBTL1QPCTALDH1A1MEN1KMT2A
SCHEMBL13853598 0.79 QPCT (0.55) L3MBTL1LMNAQPCTALDH1A1TBXAS1
SCHEMBL16610099 0.78 EGLN3 (0.58) L3MBTL1LMNAALDH1A1TBXAS1EGLN3
SCHEMBL21471162 0.78 L3MBTL1 (0.68) L3MBTL1LMNAQPCTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 L3MBTL1 1016/4885LMNA 1845/4885QPCT 3419/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP L3MBTL1 1076/4885LMNA 2014/4885QPCT 3012/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 L3MBTL1 3306/4885LMNA 4130/4885QPCT 208/4885

“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.