SCHEMBL6405848

SCHEMBL6405848

O=Cc1ccc(OCCN2CCOCC2)c(C2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
TSHR P16473 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
MAOB P27338 1/20 0.42
POLB P06746 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL6404995 0.84 TSHR (0.62) SIGMAR1TSHRALDH1A1MAPTHTT
SCHEMBL6741417 0.80 ALDH3A1 (0.39) SIGMAR1ALOX5APFEN1ALDH1A1HPGD
SCHEMBL5692306 0.78 ALDH1A1 (0.51) TSHRALDH1A1HPGDMAPTHTT
SCHEMBL5692458 0.78 ALDH1A1 (0.63) TSHRALDH1A1HPGDMAPTHTT
SCHEMBL5692621 0.78 POLB (0.56) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL5692404 0.78 POLB (0.58) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL6405844 0.77 PTGDR2 (0.41) TSHRALDH1A1HTTPTGDR2
SCHEMBL4056455 0.77 ALDH1A1 (0.59) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL4048998 0.77 ALDH1A1 (0.65) TSHRALDH1A1MAPTHTTKDM4E
Hydrochloric Acid SCHEMBL1596701 0.77 POLB (0.57) TSHRALDH1A1MAPTHTTKDM4E

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-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-6689806-B1 MODULATING PROTEIN KINASES AND RELATED SIGNAL TRANSDUCTION PATHWAYS SUGEN, INC. 2004-02-10 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
EP-1165513-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS Sugen, Inc. (US) 2002-01-02 EP disclosed
WO-2000056709-A1 INDOLINONE COMPOUNDS AS KINASE INHIBITORS SUGEN, INC. (US) 2000-09-28 WO disclosed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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 (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-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 SIGMAR1 2265/4885TSHR 3160/4885ALOX5AP 3783/4885

“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.