SCHEMBL3047608

SCHEMBL3047608

CN(C(=O)c1ccc2ccccc2c1)C(CCN)Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
UTS2R Q9UKP6 9/20 0.46
F2 P00734 2/20 0.41
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
ACHE P22303 1/20 0.41
DRD4 P21917 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL3047611 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1UTS2RF2
SCHEMBL3050028 0.91 ACHE (0.47) F2F10F7ACHE
SCHEMBL3055262 0.91 ACHE (0.47) F2F10F7ACHE
SCHEMBL3058126 0.91 ACHE (0.47) F2F10F7ACHE
SCHEMBL3055358 0.89 MAPK14 (0.47) KMT2AF2F10F7ACHE
SCHEMBL3055134 0.89 MAPK14 (0.47) KMT2AF2F10F7ACHE
SCHEMBL3047609 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1UTS2RF2
SCHEMBL3047603 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1UTS2RF2
SCHEMBL3040851 0.86 NPY5R (0.41) ALDH1A1UTS2RDRD4
SCHEMBL3053994 0.86 NPY5R (0.41) ALDH1A1UTS2RDRD4

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 MEN1 507/4885KMT2A 3047/4885ALDH1A1 15/4885

“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.