SCHEMBL3042664

SCHEMBL3042664

CN(C(=O)c1cccc(Br)c1)C(CCN)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
HTR1A P08908 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL3040844 1.00 HCRTR1 (0.46) HCRTR1HCRTR2KMT2AMEN1TMEM97
SCHEMBL3059938 0.87 HTR1A (0.47) HCRTR1HCRTR2KMT2AMEN1MAPT
SCHEMBL3058403 0.87 HTR1A (0.47) HCRTR1HCRTR2KMT2AMEN1MAPT
SCHEMBL3045271 0.87 HTR1A (0.47) HCRTR1HCRTR2KMT2AMEN1MAPT
SCHEMBL3044608 0.87 HCRTR1 (0.45) HCRTR1HCRTR2KMT2AMEN1NPC1
SCHEMBL3047223 0.87 HCRTR1 (0.45) HCRTR1HCRTR2KMT2AMEN1NPC1
SCHEMBL3059763 0.86 KMT2A (0.42) HCRTR1HCRTR2KMT2AMEN1TMEM97
SCHEMBL3053145 0.86 KMT2A (0.42) HCRTR1HCRTR2KMT2AMEN1TMEM97
SCHEMBL3041057 0.86 KMT2A (0.43) HCRTR1HCRTR2KMT2AMEN1TMEM97
SCHEMBL3040831 0.86 KMT2A (0.43) HCRTR1HCRTR2KMT2AMEN1TMEM97

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
WO-2010086366-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-08-05 WO 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 HCRTR1 3230/4885HCRTR2 3029/4885KMT2A 3047/4885

“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.