SCHEMBL1558023

SCHEMBL1558023

CNCCOc1cccc(N)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.51
HTR1B P28222 3/20 0.49
HTR1D P28221 2/20 0.48
HRH1 P35367 3/20 0.44
SLC6A4 P31645 1/20 0.43
PTPN1 P18031 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTR6 P50406 1/20 0.41
NSD2 O96028 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10795237 0.83 CYP1A2 (0.49) KDM4EALDH1A1GAALMNAPTPN1
SCHEMBL6467474 0.82 CYP1A2 (0.60) KDM4EALDH1A1LMNAPTPN1CA12
SCHEMBL6469761 0.80 ALDH1A1 (0.56) ALDH1A1TDP1GAALMNACA12
SCHEMBL311481 0.76 HTR1B (0.70) KDM4EALDH1A1TDP1GAALMNA
SCHEMBL7781072 0.76 CA12 (0.43) KDM4EALDH1A1GAALMNACA12
SCHEMBL26731029 0.75 ALDH1A1 (0.65) KDM4EALDH1A1TDP1GAALMNA
SCHEMBL284305 0.74 CA12 (0.74) KDM4EALDH1A1TDP1CA12CA1
SCHEMBL7713669 0.73 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27585303 0.73 ALDH1A1 (0.46) KDM4EALDH1A1GAALMNACA12
SCHEMBL4475569 0.72 CA12 (0.40) KDM4EALDH1A1TDP1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303861-B1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2014-04-23 EP disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 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 (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-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP KDM4E 1747/4885ALDH1A1 2505/4885TDP1 2762/4885

“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.