SCHEMBL1636052

SCHEMBL1636052

CCOP(=O)(OCC)C(C#N)=CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NEK2 P51955 1/20 0.41
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL1636050 1.00 KMT2A (0.45) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL12935861 0.85 KMT2A (0.44) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL2072282 0.85 KMT2A (0.44) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL13201731 0.85 KMT2A (0.44) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL16510007 0.75 KMT2A (0.55) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL1636054 0.73 ALDH1A1 (0.33) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL9459023 0.70 KMT2A (0.51) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL6824798 0.69 KMT2A (0.50) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL11350472 0.69 KMT2A (0.50) KMT2ALMNAMAPTMEN1L3MBTL1
SCHEMBL11110531 0.69 TSHR (0.33) KMT2AMAPTMEN1L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932261-B2 Macrocycle derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-04-26 US disclosed
US-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US disclosed
WO-2007092839-A2 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO 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-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, BACE1, PSEN2 KMT2A 2348/4885LMNA 1541/4885MAPT 48/4885

“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.