SCHEMBL10107557

SCHEMBL10107557

C=CCc1cncc(OCCCC)c1C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
FAAH O00519 6/20 0.41
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10102300 0.84 TSHR (0.39) NPC1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL6128440 0.82 LMNA (0.49) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL5031267 0.81 LMNA (0.48) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL10107912 0.79 CYP11B1 (0.41) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL10107472 0.75 LMNA (0.44) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL10102283 0.75 AOC3 (0.45) LMNAMAPTNPC1SMN1; SMN2TSHR
SCHEMBL17695310 0.75 LMNA (0.46) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL10107475 0.73 LMNA (0.44) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL10107529 0.72 LMNA (0.46) LMNAMAPTNFKB1NFKB2RELA
SCHEMBL10107473 0.71 LMNA (0.43) LMNAMAPTNFKB1NFKB2RELA

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 5 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
EP-2427190-B1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2013-09-18 EP 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
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 LMNA 3433/4885MAPT 921/4885NFKB1 533/4885

“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.