SCHEMBL10107544

SCHEMBL10107544

CCCCOc1c(N(CCC)C(=O)OC(C)(C)C)nc(N(C)C)c(C)c1C(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MMP13 P45452 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
ESR1 P03372 1/20 0.33
FAAH O00519 6/20 0.32
PRSS1 P07477 1/20 0.32
ACR P10323 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL10102020 0.90 L3MBTL1 (0.34) F2MAPTKMT2A
SCHEMBL16015533 0.90 LMNA (0.36) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL10107617 0.83 FAAH (0.39) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16015534 0.79 LMNA (0.36) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16015547 0.79 LMNA (0.36) LMNACYP1A2CYP2C9CYP2C19MMP13
SCHEMBL10107486 0.79 LMNA (0.41) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL14679403 0.78 FAAH (0.38) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL10107487 0.77 MAPT (0.39) LMNACYP1A2CYP2C9CYP2C19TSHR
SCHEMBL15521153 0.73 SSTR4 (0.33) F2CYP1A2CYP2C9CYP2C19FAAH
SCHEMBL12280008 0.73 LMNA (0.35) LMNACYP1A2CYP2C9CYP2C19TSHR

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-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
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 F2 4784/4885LMNA 3433/4885CYP1A2 530/4885

“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.