SCHEMBL3058134

SCHEMBL3058134

CCOc1cccc(C(=O)N(C)C(CCN)Cc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.64
HCRTR2 O43614 1/20 0.64
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
NR4A2 P43354 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL3046978 1.00 HCRTR1 (0.64) HCRTR1HCRTR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3053244 0.92 HCRTR1 (0.55) HCRTR1HCRTR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3057805 0.91 HCRTR1 (0.54) HCRTR1HCRTR2KMT2ASMN1; SMN2LMNA
SCHEMBL3040828 0.91 HCRTR1 (0.54) HCRTR1HCRTR2KMT2ASMN1; SMN2LMNA
SCHEMBL3049769 0.89 HCRTR1 (0.52) HCRTR1HCRTR2KMT2AALDH1A1NPC1
SCHEMBL2013190 0.89 HCRTR1 (0.52) HCRTR1HCRTR2KMT2AALDH1A1NPC1
SCHEMBL3058130 0.87 HCRTR1 (0.59) HCRTR1HCRTR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3046975 0.87 HCRTR1 (0.59) HCRTR1HCRTR2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3048416 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KMT2AMRGPRX4GPR132
SCHEMBL3058136 0.85 HCRTR1 (0.51) HCRTR1HCRTR2KMT2AMRGPRX4GPR132

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 1 patent. 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 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.