SCHEMBL6778562

SCHEMBL6778562

CCOC(=O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
GABRA2 P47869 6/20 0.44
GABRB2 P47870 6/20 0.44
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44
GABRG1 Q8N1C3 5/20 0.44
GABRG3 Q99928 5/20 0.44
GABRQ Q9UN88 5/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL7473643 0.85 KDM4E (0.41) CYP1A2GABRA2GABRB2GABRPGABRD
SCHEMBL18893829 0.80 CYP1A2 (0.45) CYP1A2GABRA2GABRB2GABRPGABRD
SCHEMBL6783355 0.77 CYP1A2 (0.35) CYP1A2MAPTALDH1A1HPGDKMT2A
SCHEMBL23496544 0.77 NPC1 (0.48) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL23354891 0.76 ALDH1A1 (0.52) CYP1A2GABRA2GABRB2MAPTALDH1A1
SCHEMBL1562633 0.76 TP53 (0.45) MAPTALDH1A1HPGDLMNAGAA
SCHEMBL17610703 0.74 ALDH1A1 (0.56) CYP1A2GABRA2GABRB2MAPTALDH1A1
SCHEMBL20746109 0.74 GAA (0.46) CYP1A2GABRA2GABRB2GABRPGABRD
SCHEMBL10817937 0.73 ALDH1A1 (0.59) CYP1A2GABRA2GABRB2GABRPGABRD
SCHEMBL3144115 0.73 HPGD (0.44) GABRA2GABRB2MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809101-B2 RNA POLYMERASES INHIBITORS; SUCH AS 5-(1-HYDROXY-1-(5-METHYL-OXAZOL-2-YL))METHYLENE-2-THIOXOTHIAZOLIDIN-4-ONE SHIONOGI & CO., LTD. (JP) 2004-10-26 US disclosed
US-20030203948-A1 Compounds having anti-hepatitics c virus effect Z-KAT, INC. 2003-10-30 US 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-20030203948-A1 Compounds having anti-hepatitics c virus effect NSUN3, HCCS, NSUN2 CYP1A2 816/4885GABRA2 4501/4885GABRB2 3936/4885

“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.