SCHEMBL6400705

SCHEMBL6400705

Cc1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3N)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.60
POLB P06746 1/20 0.60
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
PIN1 Q13526 1/20 0.52
FLT3 P36888 1/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GHSR Q92847 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
BCAT1 P54687 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
SCHEMBL6405483 0.90 TP53 (0.50) TP53POLBPDGFRBPDGFRAHDAC2
SCHEMBL6399671 0.90 TP53 (0.53) TP53POLBPDGFRBPDGFRAHDAC2
SCHEMBL6400350 0.85 FLT3 (0.54) HDAC2HDAC1HDAC3FLT3KDM4E
SCHEMBL6405426 0.85 BCAT1 (0.59) HDAC2HDAC1HDAC3FLT3KDM4E
SCHEMBL6404675 0.85 TP53 (0.67) TP53POLBPDGFRBPDGFRAHDAC2
SCHEMBL6399999 0.85 NHERF1 (0.63) HDAC1HDAC3RAB9ANPC1RXFP1
SCHEMBL6401839 0.84 KDM4E (0.56) HDAC2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6405111 0.84 RAB9A (0.60) TP53POLBPDGFRBPDGFRAHDAC2
SCHEMBL6405089 0.84 FADS1 (0.50) TP53POLBKDM4EALDH1A1HPGD
SCHEMBL6400699 0.83 RAB9A (0.55) TP53POLBPDGFRBPDGFRAHDAC2

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 TP53 1043/4885POLB 4755/4885PDGFRB 2652/4885

“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.