SCHEMBL10102028

SCHEMBL10102028

CCCNc1nc(N(C)C)c(C)c(C(=O)Oc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PTPN1 P18031 1/20 0.36
PPARG P37231 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 3/20 0.35
NOX1 Q9Y5S8 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL14679403 0.89 FAAH (0.38) TLR7MAPTLMNACYP2D6CYP1A2
SCHEMBL10102147 0.84 PTPN1 (0.41) PTPN1MAPTLMNAHPGDNOX1
SCHEMBL10102002 0.82 PTPN1 (0.40) PTPN1MAPTLMNAHPGDNOX1
SCHEMBL10102020 0.78 L3MBTL1 (0.34) HDAC3HDAC1HDAC2NCOR2PTPN1
SCHEMBL10102006 0.78 PTPN1 (0.40) PTPN1MAPTLMNAHPGDNOX1
SCHEMBL10107617 0.74 FAAH (0.39) MAPTLMNAHPGDCYP2D6CYP1A2
SCHEMBL10101772 0.74 MAPT (0.40) PTPN1MAPTHPGDNOX1
SCHEMBL10102104 0.73 ITGB3 (0.36) PTPN1PPARGMAPTLMNAHPGD
SCHEMBL10107486 0.73 LMNA (0.41) MAPTLMNACYP2D6CYP1A2CYP3A4
SCHEMBL10101766 0.71 PTPN1 (0.43) PTPN1MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 HDAC3 83/4885HDAC1 15/4885HDAC2 60/4885

“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.