SCHEMBL16015484

SCHEMBL16015484

CCCN(C)C(=O)c1cccc(CC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ACACB O00763 1/20 0.48
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
PDK2 Q15119 1/20 0.46
PARP1 P09874 3/20 0.44
ACHE P22303 1/20 0.44
BCL2 P10415 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
KAT6A Q92794 1/20 0.42
CNR2 P34972 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 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
SCHEMBL12334126 0.89 PARP1 (0.55) KMT2AMEN1HSD17B1HSD17B2PARP1
SCHEMBL20109830 0.88 KMT2A (0.53) KMT2AMEN1ACACBHSD17B1HSD17B2
SCHEMBL14117419 0.87 KMT2A (0.58) KMT2AMEN1HSD17B1HSD17B2PDK2
SCHEMBL13675516 0.86 KMT2A (0.51) KMT2AMEN1HSD17B1HSD17B2PARP1
SCHEMBL15676740 0.86 KMT2A (0.59) KMT2AMEN1L3MBTL1KAT6ACDK4
SCHEMBL22352079 0.86 MEN1 (0.48) KMT2AMEN1ACACBHSD17B1HSD17B2
SCHEMBL13818522 0.85 TP53 (0.51) KMT2AMEN1BCL2L3MBTL1NPC1
SCHEMBL16900522 0.85 MEN1 (0.50) KMT2AMEN1ACACBHSD17B1HSD17B2
SCHEMBL16015427 0.84 KMT2A (0.49) KMT2AMEN1ACACBHSD17B1HSD17B2
SCHEMBL322040 0.83 KMT2A (0.53) KMT2AMEN1HSD17B1HSD17B2BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 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 (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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885ACACB 3205/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885ACACB 3205/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885ACACB 3205/4885

“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.