SCHEMBL4098272

SCHEMBL4098272

COC(=O)C1CCN(c2ccc(I)c(Cl)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.51
MAPT P10636 5/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NSD2 O96028 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
IKBKB O14920 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
SCHEMBL5266062 0.90 MEN1 (0.53) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL4098087 0.79 MEN1 (0.66) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL4099786 0.79 LMNA (0.52) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL4018974 0.78 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL28518329 0.77 MEN1 (1.00) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL30896975 0.73 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL10174357 0.72 KDM4E (0.61) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL18291738 0.72 MEN1 (0.71) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL20442103 0.72 HRH3 (0.55) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL4509698 0.72 LMNA (0.73) SMN1; SMN2MEN1KMT2ALMNAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 SMN1; SMN2 3557/4885MEN1 2888/4885KMT2A 4642/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 SMN1; SMN2 4121/4885MEN1 2007/4885KMT2A 4406/4885

“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.