SCHEMBL12548024

SCHEMBL12548024

CN(C)C(=O)CN(C)C(=O)c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
MTOR P42345 3/20 0.39
TP53BP1 Q12888 1/20 0.39
CASP6 P55212 3/20 0.38
CTDSP1 Q9GZU7 3/20 0.38
APOBEC3A P31941 1/20 0.38
CASP7 P55210 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
DNMT1 P26358 1/20 0.38

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
SCHEMBL15701905 0.86 KMT2A (0.47) KMT2AMEN1HSD17B1HSD17B2CTSL
SCHEMBL12569624 0.83 TDP1 (0.57) KMT2AMEN1HSD17B1HSD17B2HDAC1
SCHEMBL2086375 0.81 ERN1 (0.46) KMT2AMEN1CTSLCTSSHDAC1
SCHEMBL14818031 0.80 TPMT (0.41) HSD17B1HSD17B2HDAC1HPGD
SCHEMBL12546155 0.79 MEN1 (0.44) KMT2AMEN1HSD17B1HSD17B2HDAC2
SCHEMBL12547802 0.77 SLC6A2 (0.46) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL12547699 0.77 ADORA2A (0.35) HDAC1L3MBTL1CTDSP1
Hydrochloric Acid SCHEMBL11688593 0.76 KMT2A (0.46) KMT2AMEN1CTSLCTSSHDAC1
SCHEMBL12547281 0.76 KMT2A (0.51) KMT2AMEN1HSD17B1HSD17B2CTSL
SCHEMBL12547938 0.74 NPC1 (0.43) L3MBTL1TDP1

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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 KMT2A 1610/4885MEN1 348/4885HSD17B1 2404/4885

“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.