SCHEMBL16076213

SCHEMBL16076213

CCCCn1c(=O)c2c(nc(OCc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.71
▸ TRPC4 Q9UBN4 2/20 0.71
▸ TRPC1 P48995 1/20 0.71
▸ KCNH2 Q12809 1/20 0.58
▸ HIF1A Q16665 4/20 0.53
▸ PCSK9 Q8NBP7 1/20 0.49
▸ MAOA P21397 4/20 0.49
▸ MAOB P27338 4/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ PKM P14618 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL16076214 0.93 TRPC5 (0.68) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16028258 0.93 TRPC5 (0.82) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16076210 0.91 TRPC5 (0.72) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16076122 0.90 TRPC5 (0.86) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16029457 0.90 TRPC1 (0.65) TRPC5TRPC4TRPC1HIF1APCSK9
SCHEMBL16027847 0.88 TRPC5 (0.69) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16076211 0.87 TRPC5 (0.71) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16076238 0.86 TRPC5 (0.63) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16028247 0.86 TRPC5 (0.69) TRPC5TRPC4TRPC1KCNH2HIF1A
SCHEMBL16076240 0.86 TRPC5 (0.63) TRPC5TRPC4TRPC1KCNH2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — US disclosed
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-08-18 — — US disclosed
US-20140275071-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 (3 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 4/4885
US-20160237089-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885TRPC1 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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