SCHEMBL14435145

SCHEMBL14435145

CC(=O)Oc1nc(N2CCCCS2(=O)=O)c2cccnc2c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 7/20 0.59
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
COMT P21964 3/20 0.37
KDM4E B2RXH2 5/20 0.37
ALOX12 P18054 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL4067964 0.82 CALCA (0.69) CALCATP53ALOX15PIK3C3COMT
SCHEMBL4769028 0.81 CALCA (0.74) CALCATP53ALOX15COMTKDM4E
SCHEMBL4072599 0.81 CALCA (0.68) CALCATP53ALOX15PIK3C3COMT
SCHEMBL14435148 0.81 CALCA (0.45) CALCACOMTKDM4ETDP1MAPT
SCHEMBL13812866 0.80 CALCA (0.61) CALCATP53ALOX15PIK3C3COMT
SCHEMBL4067727 0.78 CALCA (0.65) CALCATP53ALOX15PIK3C3COMT
SCHEMBL966418 0.78 CALCA (0.59) CALCATP53ALOX15COMTKDM4E
SCHEMBL968119 0.78 CALCA (0.78) CALCATP53ALOX15COMT
SCHEMBL7258795 0.78 CALCA (0.69) CALCACOMTKDM4EPOLBL3MBTL1
SCHEMBL14435150 0.74 KDM4E (0.47) TP53ALOX15COMTKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 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 (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-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 CALCA 4813/4885TP53 2343/4885ALOX15 3235/4885

“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.