SCHEMBL14601700

SCHEMBL14601700

COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.54
KDM4E B2RXH2 2/20 0.50
KCNMA1 Q12791 2/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 3/20 0.46
HTT P42858 1/20 0.46
SLC10A2 Q12908 1/20 0.46
SLC10A1 Q14973 1/20 0.46
SLC10A6 Q3KNW5 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL14601703 0.83 CCR9 (0.57) CCR9LMNAMAPTMEN1KMT2A
SCHEMBL14601699 0.80 CCR9 (0.63) CCR9SLC10A2SLC10A1SLC10A6
SCHEMBL3243266 0.79 CCR9 (0.70) CCR9LMNASLC10A2SLC10A1SLC10A6
SCHEMBL5125625 0.79 KCNMA1 (0.71) KDM4EKCNMA1ALDH1A1LMNAPOLB
SCHEMBL26979453 0.79 KCNMA1 (0.76) KDM4EKCNMA1ALDH1A1LMNAMAPT
SCHEMBL30771741 0.79 KCNMA1 (0.76) KDM4EKCNMA1ALDH1A1LMNAMAPT
SCHEMBL14601701 0.78 CCR9 (0.60) CCR9LMNAMAPTSLC10A2SLC10A1
SCHEMBL5597849 0.77 CCR9 (0.55) CCR9KDM4EALDH1A1LMNAMAPT
SCHEMBL5597820 0.76 CCR9 (0.72) CCR9SLC10A2SLC10A1SLC10A6
SCHEMBL5597922 0.76 CCR9 (0.56) CCR9KDM4EALDH1A1LMNAPOLB

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-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 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-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 CCR9 4370/4885KDM4E 4457/4885KCNMA1 1220/4885

“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.