SCHEMBL16076258

SCHEMBL16076258

Cn1c(=O)n(CCCO)c(=O)c2c1nc(O)n2Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.56
▸ TRPC4 Q9UBN4 2/20 0.54
▸ TRPC5 Q9UL62 2/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ TP53 P04637 4/20 0.52
▸ TRPC1 P48995 1/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HTT P42858 4/20 0.50
▸ LMNA P02545 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ PKM P14618 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ BRAF P15056 1/20 0.48

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
SCHEMBL18834595 0.90 TRPC5 (0.65) NPSR1TRPC4TRPC5KCNH2TP53
SCHEMBL18834900 0.89 PCSK9 (0.57) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16028038 0.88 RAB9A (0.57) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16076076 0.87 PCSK9 (0.55) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16028224 0.86 TRPC5 (0.64) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16028394 0.84 TRPC4 (0.59) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16028572 0.84 TRPC4 (0.69) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16028099 0.84 PCSK9 (0.52) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16076082 0.83 TRPC5 (0.58) PCSK9NPSR1TRPC4TRPC5KCNH2
SCHEMBL16076111 0.83 TRPC5 (0.58) PCSK9NPSR1TRPC4TRPC5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 — — 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 (1 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-20140275071-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PCSK9 1865/4885NPSR1 836/4885TRPC4 3/4885

“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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