SCHEMBL6404675

SCHEMBL6404675

Cc1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3NC(=O)O)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.67
POLB P06746 1/20 0.67
NHERF1 O14745 1/20 0.57
PIN1 Q13526 1/20 0.56
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
RXFP1 Q9HBX9 2/20 0.54
CCKAR P32238 1/20 0.52
HDAC2 Q92769 1/20 0.52
FLT3 P36888 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6400996 0.86 NHERF1 (0.76) NHERF1NPC1RAB9ARXFP1KDM4E
SCHEMBL6401163 0.86 NHERF1 (0.56) TP53POLBNHERF1NPC1RAB9A
SCHEMBL6400705 0.85 TP53 (0.60) TP53POLBNHERF1PIN1PDGFRB
SCHEMBL6402485 0.82 NHERF1 (0.60) TP53POLBNHERF1NPC1RAB9A
SCHEMBL14845689 0.80 TP53 (1.00) TP53POLBPIN1PDGFRBPDGFRA
SCHEMBL6399671 0.79 TP53 (0.53) TP53POLBPIN1PDGFRBPDGFRA
SCHEMBL6402193 0.79 NHERF1 (0.68) NHERF1NPC1RAB9ARXFP1FLT3
SCHEMBL6401120 0.78 NHERF1 (0.71) NHERF1NPC1RAB9ARXFP1KDM4E
SCHEMBL6405483 0.77 TP53 (0.50) TP53POLBPIN1PDGFRBPDGFRA
SCHEMBL6402489 0.77 NHERF1 (0.56) TP53POLBNHERF1RXFP1KDM4E

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 4755/4885NHERF1 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.