SCHEMBL7030607

SCHEMBL7030607

O=C(c1cc2ccccc2[nH]1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.57
KDM4E B2RXH2 5/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
DAO P14920 1/20 0.56
SRD5A2 P31213 1/20 0.56
FAAH O00519 1/20 0.55
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
ALDH1A1 P00352 3/20 0.52
MAOB P27338 1/20 0.51
AKR1C3 P42330 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
HRH4 Q9H3N8 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
IDO1 P14902 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
SCHEMBL18900665 0.95 FLT3 (0.59) FLT3KDM4EHPGDHSD17B10MAPT
SCHEMBL7024844 0.92 FLT3 (0.62) FLT3KDM4EHPGDHSD17B10MAPT
SCHEMBL6170688 0.81 HRH4 (0.57) FLT3DAOPDGFRBALDH1A1HRH4
SCHEMBL27743091 0.80 FLT3 (0.51) FLT3KDM4EHPGDHSD17B10MAPT
SCHEMBL28171742 0.79 PTPN2 (0.70) FLT3KDM4EHPGDHSD17B10MAPT
Indole-2-Carboxylic Acid SCHEMBL28171743 0.78 KDM4E (0.89) FLT3KDM4EHPGDHSD17B10MAPT
SCHEMBL19837645 0.78 MLLT1 (0.67) KDM4EHPGDHSD17B10MAPTFAAH
SCHEMBL74832 0.78 MLLT1 (0.67) KDM4EHPGDHSD17B10MAPTFAAH
SCHEMBL74244 0.78 MLLT1 (0.67) KDM4EHPGDHSD17B10MAPTFAAH
SCHEMBL24588742 0.77 HRH4 (0.52) KDM4EHPGDHSD17B10MAPTDAO

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US claimed
EP-1276720-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTA Medica AG (DE) 2003-01-22 EP claimed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US claimed
WO-2001082909-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (DE) 2001-11-08 WO claimed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
EP-1276720-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTA Medica AG (DE) 2003-01-22 EP disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US disclosed
WO-2001082909-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (DE) 2001-11-08 WO 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 (2 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT FLT3 1953/4885KDM4E 2155/4885HPGD 2111/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT FLT3 1953/4885KDM4E 2155/4885HPGD 2111/4885

“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.