SCHEMBL6828406

SCHEMBL6828406

CCOC(=O)c1[nH]c(C)c(-c2cccc(C(=O)Nc3ccc(Br)cc3F)c2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
LMNA P02545 6/20 0.52
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 5/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL6825632 0.90 MAPT (0.52) SMN1; SMN2NPC1RAB9ALMNANFKB1
SCHEMBL6828204 0.78 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ALMNANFKB1
SCHEMBL5403457 0.77 RAB9A (0.52) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL6828407 0.77 RAB9A (0.40) SMN1; SMN2NPC1RAB9AGAAL3MBTL1
SCHEMBL6828515 0.77 MAPT (0.52) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6825131 0.76 MAPT (0.51) SMN1; SMN2NPC1RAB9ALMNANFKB1
SCHEMBL6825638 0.76 MAPT (0.47) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL6825121 0.74 LMNA (0.54) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6825618 0.74 MAPT (0.60) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6825567 0.73 MAPT (0.49) SMN1; SMN2NPC1RAB9ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 US claimed
US-20040138269-A1 Substituted pyrroles as kinase inhibitors SUGEN, INC. 2004-07-15 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-20040138269-A1 Substituted pyrroles as kinase inhibitors PHKG1, PHKG2, MAP3K20 SMN1; SMN2 2661/4885NPC1 2915/4885RAB9A 1487/4885

“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.