SCHEMBL3053145

SCHEMBL3053145

CN(C(=O)c1ccc(Br)cc1)C(CCN)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTR1A P08908 1/20 0.41
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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 3/20 0.39
MAPT P10636 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
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
SCHEMBL3059763 1.00 KMT2A (0.42) KMT2AHSP90AA1MEN1RAB9ANPC1
SCHEMBL3059938 0.91 HTR1A (0.47) KMT2AMEN1HTR1AALPIPKM
SCHEMBL3058403 0.91 HTR1A (0.47) KMT2AMEN1HTR1AALPIPKM
SCHEMBL3045271 0.91 HTR1A (0.47) KMT2AMEN1HTR1AALPIPKM
SCHEMBL3040844 0.86 HCRTR1 (0.46) KMT2AMEN1RAB9ANPC1HTR1A
SCHEMBL3042664 0.86 HCRTR1 (0.46) KMT2AMEN1RAB9ANPC1HTR1A
SCHEMBL3057216 0.85 ALDH1A1 (0.52) KMT2AMEN1RAB9ANPC1HTR1A
SCHEMBL3049987 0.85 ALDH1A1 (0.52) KMT2AMEN1RAB9ANPC1HTR1A
SCHEMBL3059761 0.85 KMT2A (0.41) KMT2AHSP90AA1MEN1RAB9ANPC1
SCHEMBL3053142 0.85 KMT2A (0.41) KMT2AHSP90AA1MEN1RAB9ANPC1

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 3047/4885HSP90AA1 2587/4885MEN1 507/4885

“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.