SCHEMBL5723908

SCHEMBL5723908

COc1ccc(CCNC(C)=O)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69
PTGS1 P23219 1/20 0.69
BLM P54132 1/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MTNR1A P48039 2/20 0.66
MTNR1B P49286 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57

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
SCHEMBL27160492 0.88 GAA (0.60) LMNAALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL5723848 0.88 MTNR1A (0.84) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL2224069 0.88 CA12 (0.73) ALDH1A1MAPTMTNR1AMTNR1BSMN1; SMN2
SCHEMBL28515325 0.87 KDM4E (0.68) KDM4ELMNAALDH1A1MAPTHPGD
Water SCHEMBL11279885 0.86 CA12 (0.71) ALDH1A1MAPTMTNR1AMTNR1BSMN1; SMN2
SCHEMBL18932186 0.85 CA1 (0.57) CA1CA2
SCHEMBL14564764 0.84 TRPV1 (0.69) KDM4ELMNAALDH1A1MTNR1AMTNR1B
SCHEMBL9781789 0.84 CYP1A2 (0.54) LMNAMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL3996984 0.84 SMN1; SMN2 (0.59) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL3549648 0.84 SMN1; SMN2 (0.59) KDM4ELMNAALDH1A1MAPTHPGD

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-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 US disclosed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 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-20070142399-A1 Dual function drugs and uses thereof COMT, DRD2, SLC6A3 KDM4E 3362/4885LMNA 4868/4885ALDH1A1 409/4885

“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.