SCHEMBL5460969

SCHEMBL5460969

O=C(Nc1cccc(I)c1)Nc1ccncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PIM1 P11309 1/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL8946387 0.82 NPC1 (0.68) LMNAKMT2AMEN1SMN1; SMN2PKM
SCHEMBL17664185 0.80 KDR (0.67) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL29466759 0.80 GRIK1 (0.60) LMNAKMT2AMEN1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL5452176 0.75 TAAR1 (0.67) LMNAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL19880777 0.75 TP53 (0.65) LMNAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5455619 0.72 BAZ1A (0.58) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL17664184 0.72 KDR (0.56) KMT2AMEN1NPC1RAB9A
SCHEMBL26686244 0.71 NPC1 (0.64) LMNAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL28755924 0.71 EPHX2 (0.54) LMNASMN1; SMN2POLBALDH1A1MDM2
SCHEMBL3100071 0.71 GRIK1 (0.51) LMNAKMT2AMEN1SMN1; SMN2PKM

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 4 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
EP-1478620-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-11-24 EP disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO 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 LMNA 552/4885KMT2A 171/4885MEN1 1655/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 LMNA 552/4885KMT2A 171/4885MEN1 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.