SCHEMBL3076867

SCHEMBL3076867

NNC(=O)c1c(Cl)cccc1N[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FEN1 P39748 1/20 0.40
OGG1 O15527 1/20 0.40
PBRM1 Q86U86 1/20 0.39
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MAPT P10636 4/20 0.38
JAK2 O60674 1/20 0.37
CYP3A4 P08684 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
FABP3 P05413 1/20 0.37

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
SCHEMBL4377125 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AFEN1OGG1
SCHEMBL10558954 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AMEN1FEN1
SCHEMBL3080230 0.77 GAA (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2TYK2
SCHEMBL11558105 0.75 KDM4E (0.46) ALDH1A1HPGDKMT2AMEN1FEN1
SCHEMBL24209849 0.74 JAK1 (0.59) ALDH1A1HPGDKMT2AFEN1OGG1
SCHEMBL12473715 0.74 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AMEN1FEN1
SCHEMBL11007189 0.74 CTSD (0.49) ALDH1A1HPGDKMT2AMEN1HTT
SCHEMBL4370150 0.73 TYK2 (0.58) ALDH1A1HPGDKMT2AFEN1OGG1
SCHEMBL25051950 0.73 GAA (0.63) HPGDKMT2AMEN1MAPTJAK2
SCHEMBL448937 0.71 MEN1 (0.50) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 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-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C ALDH1A1 1193/4885HPGD 800/4885KMT2A 3999/4885

“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.