SCHEMBL18834374

SCHEMBL18834374

CN1c2nc(CCCO)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 10/20 0.38
▸ TRPC5 Q9UL62 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TRPC4 Q9UBN4 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PDE5A O76074 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21499689 0.94 PDE5A (0.41) P2RX3TRPC5KCNH2TRPC4TP53
SCHEMBL21499690 0.92 P2RX3 (0.39) P2RX3TRPC5KCNH2TRPC4TP53
SCHEMBL21316298 0.89 P2RX3 (0.46) P2RX3TRPC5TP53PDE5A
SCHEMBL19505090 0.86 TSHR (0.40) P2RX3TP53PDE5ASMN1; SMN2ALDH1A1
SCHEMBL21499648 0.85 TRPC4 (0.40) P2RX3TRPC5KCNH2TRPC4TP53
SCHEMBL19375035 0.84 P2RX3 (0.44) P2RX3
SCHEMBL19505259 0.84 P2RX3 (0.39) P2RX3TRPC5KCNH2TRPC4TP53
SCHEMBL20432348 0.83 P2RX3 (0.40) P2RX3TRPC5KCNH2TRPC4TP53
SCHEMBL18834916 0.83 TRPC4 (0.45) P2RX3TRPC5KCNH2TRPC4
SCHEMBL19374881 0.83 P2RX3 (0.44) P2RX3TRPC5KCNH2TRPC4TP53

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-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 — — US disclosed
EP-2970303-B3 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2018-08-01 — — EP disclosed
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP 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-10399982-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 P2RX3 30/4885TRPC5 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.

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