SCHEMBL6405089

SCHEMBL6405089

CC(C)c1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3N)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.50
KDM4E B2RXH2 3/20 0.46
NHERF1 O14745 1/20 0.46
GAA P10253 3/20 0.45
EGFR P00533 2/20 0.45
PIK3CA P42336 2/20 0.45
LMNA P02545 1/20 0.45
CCKAR P32238 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.43
EIF4A3 P38919 1/20 0.43
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 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
SCHEMBL6402478 0.86 KDM4E (0.44) KDM4ELMNAHPGDALDH1A1EIF4A3
SCHEMBL6400705 0.84 TP53 (0.60) KDM4ENHERF1HPGDALDH1A1TP53
SCHEMBL6399999 0.82 NHERF1 (0.63) KDM4ENHERF1EGFR
SCHEMBL6400350 0.82 FLT3 (0.54) KDM4ELMNAHPGDALDH1A1
SCHEMBL6405426 0.82 BCAT1 (0.59) KDM4ENHERF1GAAALDH1A1MAPK1
SCHEMBL6401839 0.81 KDM4E (0.56) KDM4ENHERF1GAAHPGDALDH1A1
SCHEMBL6404295 0.80 BCAT1 (0.59) KDM4E
SCHEMBL20381090 0.77 TP53 (0.70) NHERF1EGFRPIK3CALMNATP53
SCHEMBL6399671 0.76 TP53 (0.53) TP53POLB
SCHEMBL6405483 0.76 TP53 (0.50) KDM4ETP53POLB

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 FADS1 2178/4885KDM4E 1617/4885NHERF1 332/4885

“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.