SCHEMBL14435147

SCHEMBL14435147

CC(=O)Oc1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.42
TDP1 Q9NUW8 6/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
CKS1B P61024 2/20 0.40
SKP2 Q13309 2/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL27863016 0.83 KMT2A (0.41) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL967038 0.82 TDP1 (0.43) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL14435148 0.80 CALCA (0.45) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL14287858 0.78 TDP1 (0.40) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL7258128 0.75 TDP1 (0.45) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL14435150 0.75 KDM4E (0.47) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL7258042 0.74 TDP1 (0.46) COMTTDP1KDM4EALDH1A1HTT
SCHEMBL27949658 0.74 KDM4E (0.45) TDP1KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL6383507 0.74 ALDH1A1 (0.42) ALDH1A1MAPTKMT2A
SCHEMBL13812899 0.73 TDP1 (0.45) COMTTDP1KDM4EALDH1A1HTT

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 COMT 2943/4885TDP1 1180/4885KDM4E 303/4885

“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.