SCHEMBL6402478

SCHEMBL6402478

CC(C)c1ccc2[nH]c(C(=O)NNC(=O)c3ccc(F)cc3N)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PDPK1 O15530 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MLLT1 Q03111 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
FLT3 P36888 3/20 0.43
SMYD3 Q9H7B4 1/20 0.43
EIF4A3 P38919 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6405089 0.86 FADS1 (0.50) KDM4EALDH1A1LMNAHPGDEIF4A3
SCHEMBL6405111 0.86 RAB9A (0.60) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL6402152 0.84 MEN1 (0.60) RXFP1SMYD3MEN1KMT2APYGL
SCHEMBL6398207 0.84 BCAT1 (0.50) KDM4EPDPK1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL6399726 0.83 MEN1 (0.59) RXFP1SMYD3MEN1KMT2APYGL
SCHEMBL6399035 0.83 NPC1 (0.56) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL6400285 0.82 MEN1 (0.55) RXFP1SMYD3HRH4MEN1KMT2A
SCHEMBL6400350 0.80 FLT3 (0.54) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL6404747 0.79 NPC1 (0.51) RXFP1MLLT1NPC1RAB9AFLT3
SCHEMBL6401941 0.77 NPC1 (0.49) RXFP1NPC1RAB9A

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 KDM4E 1617/4885PDPK1 1364/4885ALDH1A1 408/4885

“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.