SCHEMBL4495709

SCHEMBL4495709

CN(Cc1ccccc1)C(=O)c1ccc(C(=O)CCC(=O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
MEN1 O00255 2/20 0.69
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MLYCD O95822 1/20 0.59
LIMK2 P53671 2/20 0.58
MAOA P21397 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ABL1 P00519 1/20 0.57
LCK P06239 1/20 0.57
LIMK1 P53667 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53

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
SCHEMBL1003665 0.90 KMT2A (0.83) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL3455399 0.83 LIMK2 (0.69) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL2921609 0.83 KMT2A (0.68) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL5644792 0.82 LIMK2 (0.70) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL4937857 0.82 HDAC1 (0.66) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL19630546 0.82 KMT2A (0.66) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL14812071 0.81 HDAC1 (0.64) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL21923501 0.79 MLYCD (0.70) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL20277763 0.79 LIMK2 (0.63) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL6609569 0.79 NPC1 (0.70) KMT2AMEN1HDAC1HDAC6NPC1

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-7488832-B2 e.g. N-[amino(imino)methyl]-2-[2-(4-phenoxyphenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide; beta -amyloid deposits and neurofibrillary tangles; cognition activator, neurodegenerative diseases; Alzheimer's disease, Down's syndrome WYETH (US) 2009-02-10 US disclosed
US-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS WYETH (US) 2008-11-20 US disclosed
EP-1848692-A1 AZOLYLACYLGUANIDINES AS ß-SECRETASE INHIBITORS Wyeth (US) 2007-10-31 EP disclosed
WO-2006088711-A1 AZOLYLACYLGUANIDINES AS β-SECRETASE INHIBITORS WYETH (US) 2006-08-24 WO disclosed
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors WYETH (US) 2006-08-17 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 (2 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-20080287424-A1 AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS BACE1, BACE2, APP KMT2A 634/4885MEN1 2713/4885HDAC1 286/4885
US-20060183790-A1 Azolylacylguanidines as beta-secretase inhibitors BACE1, BACE2, APP KMT2A 634/4885MEN1 2713/4885HDAC1 286/4885

“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.