SCHEMBL16029457

SCHEMBL16029457

Cn1c(=O)c2c(nc(OCc3cccc(OC(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPC1 P48995 1/20 0.65
▸ TRPC4 Q9UBN4 1/20 0.65
▸ TRPC5 Q9UL62 1/20 0.65
▸ MAOA P21397 7/20 0.61
▸ MAOB P27338 7/20 0.61
▸ PCSK9 Q8NBP7 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ HTT P42858 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MEN1 O00255 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ TSHR P16473 1/20 0.54
▸ MAPT P10636 1/20 0.53

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
SCHEMBL17772741 0.95 MAOA (0.61) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL16029450 0.90 TRPC4 (0.66) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL16076213 0.90 TRPC5 (0.71) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL16028258 0.89 TRPC5 (0.82) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL16029560 0.89 TRPC4 (0.80) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL16029067 0.87 MAOA (0.75) MAOAMAOBPKMSMN1; SMN2KMT2A
SCHEMBL16027847 0.87 TRPC5 (0.69) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL17772726 0.86 MAOA (0.65) MAOAMAOBPKMSMN1; SMN2KMT2A
SCHEMBL17772765 0.86 ALDH1A1 (0.61) TRPC1TRPC4TRPC5MAOAMAOB
SCHEMBL17772725 0.85 TRPC4 (0.71) TRPC1TRPC4TRPC5MAOAMAOB

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 TRPC1 4/4885TRPC4 3/4885TRPC5 1/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC1 4/4885TRPC4 3/4885TRPC5 1/4885

“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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