SCHEMBL1534099

SCHEMBL1534099

COc1cc([N+](=O)[O-])c(OCc2ccccc2)c(C(=O)Oc2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ABCB1 P08183 1/20 0.42
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 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
SCHEMBL1534206 0.88 MEN1 (0.42) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL11923222 0.87 KMT2A (0.41) MEN1KMT2AMAPTCYP1A2CYP2D6
SCHEMBL114286 0.86 PTGES (0.45) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL11920808 0.86 PTPN1 (0.46) MEN1KMT2AMAPTALDH1A1PTPN1
SCHEMBL11920787 0.86 PTPN1 (0.49) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL11908734 0.83 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1PTPN1
SCHEMBL1534047 0.83 PTPN1 (0.44) MEN1KMT2ACTSVCTSLALDH1A1
SCHEMBL1534114 0.81 ERN1 (0.47) MAPTALDH1A1PTPN1LMNAHPGD
SCHEMBL18743775 0.80 PTPN1 (0.41) PTPN1LMNAHPGD
SCHEMBL1534081 0.77 CTSV (0.48) MEN1KMT2AMAPTCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
EP-2470500-A2 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2012-07-04 EP disclosed
WO-2011025982-A2 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2011-03-03 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 (2 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-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C MEN1 2645/4885KMT2A 2825/4885MAPT 93/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 MEN1 2209/4885KMT2A 2811/4885MAPT 116/4885

“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.