SCHEMBL6403687

SCHEMBL6403687

NC(=O)N1C(=O)[N]C(=O)c2ccc(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
GRM2 Q14416 3/20 0.31
AMPD2 Q01433 2/20 0.31
PARP1 P09874 1/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
MAPK13 O15264 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL6401445 0.83 ALPL (0.32) ALPL
SCHEMBL6406733 0.82 AADAT (0.35) ALPLALDH1A1IDO1TDO2IDO2
SCHEMBL6404457 0.78 MEN1 (0.50) ALDH1A1CYP3A4KDM4EMEN1MAPT
SCHEMBL6401710 0.74 P2RX4 (0.40) CA1CA2CA7CA9ALDH1A1
SCHEMBL6406364 0.70 HSD17B10 (0.42) CA1CA2CA7CA9ALDH1A1
SCHEMBL4067595 0.66 DPP9 (0.35) ALDH1A1CYP3A4AMPD2KDM4EMEN1
SCHEMBL8740603 0.66 NOTUM (0.41) ALDH1A1CYP3A4AMPD2KDM4EMEN1
SCHEMBL13284810 0.64 LMNA (0.56) ALDH1A1AMPD2PARP1LMNATSHR
SCHEMBL6400066 0.64 SCN9A (0.37) ALDH1A1CYP3A4PARP1KDM4EMEN1
SCHEMBL6400176 0.64 TSHR (0.38) ALDH1A1CYP3A4PARP1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 ALPL 1052/4885CA1 2874/4885CA2 1524/4885

“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.