SCHEMBL6400350

SCHEMBL6400350

Nc1ccccc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.54
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
KDM4E B2RXH2 2/20 0.52
PDPK1 O15530 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MLLT1 Q03111 1/20 0.51
PYGL P06737 1/20 0.47
KCNA6 P17658 1/20 0.46
KCNA3 P22001 1/20 0.46
KCNA4 P22459 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL6400705 0.85 TP53 (0.60) FLT3HDAC3HDAC1KDM4EALDH1A1
SCHEMBL6399999 0.85 NHERF1 (0.63) HDAC3HDAC1KDM4EPYGL
SCHEMBL6405426 0.85 BCAT1 (0.59) FLT3HDAC3HDAC1KDM4EALDH1A1
SCHEMBL6401163 0.84 NHERF1 (0.56) FLT3HDAC3HDAC1KDM4EPDPK1
SCHEMBL6402152 0.82 MEN1 (0.60) PYGL
SCHEMBL6398207 0.82 BCAT1 (0.50) FLT3HDAC3HDAC1KDM4EPDPK1
SCHEMBL6405089 0.82 FADS1 (0.50) KDM4EALDH1A1LMNAHPGD
SCHEMBL6401839 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDPYGLHDAC2
SCHEMBL6405111 0.82 RAB9A (0.60) FLT3HDAC3HDAC1KDM4EPDPK1
Hydrochloric Acid SCHEMBL6399726 0.81 MEN1 (0.59) PYGL

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 FLT3 2254/4885HDAC3 2153/4885HDAC1 1515/4885

“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.