SCHEMBL6400699

SCHEMBL6400699

Cc1ccc2[nH]c(C(=O)NNC(=O)c3cc(F)c(F)cc3N)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.51
PIN1 Q13526 1/20 0.50
FLT3 P36888 3/20 0.49
HDAC2 Q92769 2/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
BCAT1 P54687 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
SCHEMBL6403704 0.89 TP53 (0.49) RAB9ANPC1RXFP1TP53POLB
SCHEMBL6405111 0.87 RAB9A (0.60) RAB9ANPC1RXFP1TP53POLB
SCHEMBL6401115 0.86 MEN1 (0.55) RXFP1BCAT1
SCHEMBL6399035 0.83 NPC1 (0.56) RAB9ANPC1RXFP1TP53POLB
SCHEMBL6400705 0.83 TP53 (0.60) RAB9ANPC1RXFP1TP53POLB
SCHEMBL6400936 0.80 BCAT1 (0.56) RXFP1TP53POLBPIN1HRH4
SCHEMBL6404677 0.80 BCAT1 (0.56) RXFP1TP53POLBPIN1HRH4
SCHEMBL6404747 0.79 NPC1 (0.51) RAB9ANPC1RXFP1TP53POLB
SCHEMBL6401941 0.78 NPC1 (0.49) RAB9ANPC1RXFP1TP53POLB
SCHEMBL6404675 0.76 TP53 (0.67) RAB9ANPC1RXFP1TP53POLB

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 RAB9A 1891/4885NPC1 706/4885RXFP1 920/4885

“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.