SCHEMBL10102101

SCHEMBL10102101

Cc1c(F)nc(N(CC(C)(C)CN(C)C)C(=O)OCc2ccccc2)c(OCc2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
KCNA5 P22460 1/20 0.32
MAPT P10636 3/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.31
MMP13 P45452 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL10107647 0.93 ITGB3 (0.36) ITGB3ITGA2BKCNA5MAPTALDH1A1
SCHEMBL10102104 0.80 ITGB3 (0.36) ITGB3ITGA2BKCNA5MAPTPTPN1
SCHEMBL10102173 0.76 MAPT (0.43) MAPTPTPN1HPGDRAB9ANPSR1
SCHEMBL10102066 0.74 PTPN1 (0.41) MAPTPTPN1HPGDTSHRRAB9A
SCHEMBL10102020 0.71 L3MBTL1 (0.34) MAPTPTPN1KMT2AMEN1HSP90AA1
SCHEMBL10102006 0.70 PTPN1 (0.40) MAPTPTPN1ALDH1A1HPGDRAB9A
SCHEMBL10102147 0.70 PTPN1 (0.41) MAPTPTPN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10102133 0.70 HRH4 (0.46) MAPTALDH1A1TSHRKMT2A
SCHEMBL14679438 0.69 MCHR1 (0.37) ITGB3ITGA2BMAPTALDH1A1HPGD
SCHEMBL9286155 0.69 PTPN1 (0.42) MAPTPTPN1ALDH1A1HPGDSMN1; SMN2

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 ITGB3 4561/4885ITGA2B 3823/4885KCNA5 1456/4885

“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.