SCHEMBL16029450

SCHEMBL16029450

Cn1c(=O)c2c(nc(OCCOc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.66
▸ TRPC5 Q9UL62 2/20 0.66
▸ TRPC1 P48995 1/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ MAOA P21397 4/20 0.59
▸ MAOB P27338 4/20 0.59
▸ KMT2A Q03164 3/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ PCSK9 Q8NBP7 1/20 0.55
▸ TSHR P16473 3/20 0.52
▸ KCNH2 Q12809 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ MAPT P10636 1/20 0.50

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
SCHEMBL17772765 0.94 ALDH1A1 (0.61) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16028247 0.92 TRPC5 (0.69) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16028157 0.91 TRPC5 (0.76) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16029457 0.90 TRPC1 (0.65) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16029560 0.90 TRPC4 (0.80) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16076210 0.90 TRPC5 (0.72) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16028577 0.90 TRPC5 (0.68) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16076033 0.89 TRPC5 (0.84) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16076211 0.89 TRPC5 (0.71) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1
SCHEMBL16028238 0.88 TRPC5 (0.77) TRPC4TRPC5TRPC1SMN1; SMN2ALDH1A1

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-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 — — EP disclosed
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
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
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 1/4885TRPC1 4/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC4 3/4885TRPC5 1/4885TRPC1 4/4885

“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.

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