SCHEMBL5455607

SCHEMBL5455607

O=C(Nc1ccccc1)Nc1ccccc1C#CCCOCCCCCCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
CXCR2 P25025 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 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
SCHEMBL5452187 0.74 NPC1 (0.44) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL5440192 0.74 EPHX1 (0.49) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL5443906 0.71 NR1H4 (0.48) KDM4EMEN1KMT2ALMNANPC1
SCHEMBL16210927 0.69 MEN1 (0.68) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL4627356 0.66 ALOX5AP (0.31)
SCHEMBL5449569 0.66 IKBKB (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL5445225 0.66 IKBKB (0.37) NPC1RAB9ASMN1; SMN2
SCHEMBL17322825 0.66 KDM4E (0.61) KDM4EGAAMEN1KMT2ALMNA
SCHEMBL5183995 0.65 HRH3 (0.31)
SCHEMBL21810514 0.64 SMN1; SMN2 (0.81) KDM4EGAAMEN1KMT2ALMNA

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-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 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 (2 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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 KDM4E 1044/4885GAA 1606/4885MEN1 1655/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 KDM4E 1044/4885GAA 1606/4885MEN1 1655/4885

“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.