SCHEMBL16029404

SCHEMBL16029404

Cn1c(=O)c2c(nc(Oc3cccc(C(F)(F)F)c3)n2COCC[Si](C)(C)C)n(C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
NCOA3 Q9Y6Q9 2/20 0.53
NCOA1 Q15788 1/20 0.53
HTT P42858 4/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HIF1A Q16665 1/20 0.49
THRB P10828 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.46

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
SCHEMBL16029336 0.89 TRPC1 (0.54) MAOAMAOBNCOA3NCOA1HTT
SCHEMBL19560416 0.81 THRB (0.71) MAOAMAOBNCOA3NCOA1HTT
SCHEMBL16029723 0.81 LMNA (0.53) MAOAMAOBHTTLMNAALDH1A1
SCHEMBL16076199 0.81 TRPC5 (0.57) NCOA3NCOA1HTTLMNAMEN1
SCHEMBL16028858 0.80 TRPC5 (0.56) NCOA3NCOA1HTTLMNAMEN1
SCHEMBL17772701 0.80 ALDH1A1 (0.56) MAOAMAOBNCOA3NCOA1HTT
SCHEMBL16029849 0.80 TRPC4 (0.64) MAOAMAOBNCOA3NCOA1HTT
SCHEMBL16076171 0.80 TRPC5 (0.60) NCOA3NCOA1HTTLMNAMEN1
SCHEMBL16029510 0.79 ALDH1A1 (0.57) MAOAMAOBNCOA3NCOA1HTT
SCHEMBL16029247 0.79 ALDH1A1 (0.65) MAOAMAOBNCOA3NCOA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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 (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-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAOA 886/4885MAOB 518/4885NCOA3 2717/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 MAOA 886/4885MAOB 518/4885NCOA3 2717/4885

“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.