SCHEMBL4417860

SCHEMBL4417860

CCOC(=O)c1ccc2c(c1)[nH]c1ncc(C)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HCRTR1 O43613 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
IMPDH2 P12268 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
DYRK1A Q13627 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.46
KIF11 P52732 1/20 0.45
PKN1 Q16512 1/20 0.45

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
SCHEMBL6007665 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL6009615 0.80 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL17461855 0.79 KDM4E (0.66) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL4419381 0.78 MAPT (0.42) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL70604 0.77 ALDH1A1 (0.81) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL30686842 0.76 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL6009670 0.76 KDM4E (0.84) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL12398077 0.74 HCRTR1 (0.78) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL5621378 0.73 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTRAB9AMEN1
SCHEMBL11095790 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTRAB9AMEN1

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 ALDH1A1 308/4885KDM4E 390/4885MAPT 4329/4885

“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.