SCHEMBL10102104

SCHEMBL10102104

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MCHR1 Q99705 1/20 0.36
BRD4 O60885 1/20 0.35
KCNA5 P22460 1/20 0.35
CACNA1B Q00975 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARG P37231 1/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL14679438 0.89 MCHR1 (0.37) ITGB3ITGA2BMCHR1BRD4CACNA1B
SCHEMBL10102101 0.80 ITGB3 (0.33) ITGB3ITGA2BKCNA5PTPN1HPGD
SCHEMBL10102173 0.78 MAPT (0.43) PTPN1HPGDLMNAMAPTRAB9A
SCHEMBL10102066 0.76 PTPN1 (0.41) PTPN1HPGDLMNAMAPTRAB9A
SCHEMBL10107621 0.75 BRD4 (0.37) ITGB3ITGA2BMCHR1BRD4KDM4E
SCHEMBL10107647 0.74 ITGB3 (0.36) ITGB3ITGA2BKCNA5TDP1LMNA
SCHEMBL10102028 0.73 HDAC3 (0.38) PTPN1PPARGHPGDLMNAMAPT
SCHEMBL10102133 0.72 HRH4 (0.46) MAPTALDH1A1TSHRKMT2A
SCHEMBL9279764 0.70 PTPN1 (0.40) PTPN1HPGDLMNAMAPTRAB9A
SCHEMBL9286155 0.70 PTPN1 (0.42) PTPN1HPGDLMNAMAPTRAB9A

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 3823/4885MCHR1 4343/4885

“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.