SCHEMBL16079574

SCHEMBL16079574

Cn1c(=O)c2c(nc(Oc3cccc(CO)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC4 Q9UBN4 2/20 0.70
TRPC5 Q9UL62 2/20 0.70
KCNH2 Q12809 1/20 0.70
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HIF1A Q16665 2/20 0.68
TSHR P16473 3/20 0.67
TRPC1 P48995 1/20 0.64
POLB P06746 1/20 0.63
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 4/20 0.57
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PCSK9 Q8NBP7 3/20 0.55

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
SCHEMBL16079550 0.93 ALDH1A1 (0.69) TRPC4TRPC5KCNH2ALDH1A1MEN1
SCHEMBL16079575 0.91 ALDH1A1 (0.69) TRPC4TRPC5KCNH2ALDH1A1MEN1
SCHEMBL16079560 0.89 ALDH1A1 (0.66) TRPC4TRPC5KCNH2ALDH1A1MEN1
SCHEMBL16079561 0.89 ALDH1A1 (0.66) TRPC4TRPC5KCNH2ALDH1A1MEN1
SCHEMBL19560438 0.89 TRPC4 (0.65) TRPC4TRPC5KCNH2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL16031117 0.88 ALDH1A1 (0.65) TRPC4TRPC5KCNH2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL16030824 0.88 ALDH1A1 (0.65) TRPC4TRPC5KCNH2ALDH1A1MEN1
SCHEMBL16029478 0.88 MAPT (0.73) ALDH1A1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL17772736 0.86 ALDH1A1 (0.65) TRPC4TRPC5KCNH2ALDH1A1MEN1
SCHEMBL17772725 0.86 TRPC4 (0.71) TRPC4TRPC5KCNH2ALDH1A1MEN1

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
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO 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 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885KCNH2 70/4885

“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.