SCHEMBL10101802

SCHEMBL10101802

COC(=O)c1c(OCc2ccccc2)cnc(Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
BRD4 O60885 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL10101771 0.88 MAPT (0.42) MAPTL3MBTL1RAB9ATDP1MAPK1
SCHEMBL15813873 0.81 MAPT (0.45) MAPTL3MBTL1LMNARAB9AHPGD
SCHEMBL10101799 0.79 MAPT (0.47) MAPTL3MBTL1LMNARAB9AHPGD
SCHEMBL10102322 0.79 MAPT (0.50) MAPTLMNAHPGDTDP1TP53
SCHEMBL10107491 0.77 NPC1 (0.43) MAPTL3MBTL1RAB9AHPGDTDP1
SCHEMBL9724299 0.77 HPGD (0.56) MAPTL3MBTL1LMNARAB9AHPGD
SCHEMBL22309177 0.75 LMNA (0.49) LMNAHPGDSMPD1HDAC1HDAC8
SCHEMBL20594032 0.75 LMNA (0.49) L3MBTL1LMNAHPGDTDP1SMPD1
SCHEMBL30680302 0.75 LMNA (0.49) L3MBTL1LMNAHPGDTDP1SMPD1
SCHEMBL30457774 0.75 LMNA (0.49) LMNAHPGDSMPD1HDAC1HDAC8

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 MAPT 921/4885L3MBTL1 4756/4885LMNA 3433/4885

“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.