SCHEMBL3053142

SCHEMBL3053142

CN(C(=O)c1ccc(Br)cc1)C(CC(N)=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
MME P08473 2/20 0.40
HSP90AA1 P07900 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL3059761 1.00 KMT2A (0.41) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3058401 0.91 HTR1A (0.44) KMT2AMEN1L3MBTL1HTR1AALPI
SCHEMBL3045269 0.91 HTR1A (0.44) KMT2AMEN1L3MBTL1HTR1AALPI
SCHEMBL3059936 0.91 HTR1A (0.44) KMT2AMEN1L3MBTL1HTR1AALPI
SCHEMBL3040831 0.86 KMT2A (0.43) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3041057 0.86 KMT2A (0.43) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3057212 0.85 ACHE (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3049985 0.85 ACHE (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3059763 0.85 KMT2A (0.42) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL3053145 0.85 KMT2A (0.42) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 KMT2A 3047/4885MEN1 507/4885RAB9A 4436/4885

“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.