SCHEMBL10203049

SCHEMBL10203049

CC(C)CCOc1nccc(Oc2ccc(Cl)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.43
▸ P2RX3 P56373 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ HAO1 Q9UJM8 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GAA P10253 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
SCHEMBL15677601 0.85 SCN9A (0.47) SCN9AP2RX3L3MBTL1MAPTHTT
SCHEMBL10203082 0.77 RXRA (0.39) TDP1HTTMEN1KMT2AALDH1A1
SCHEMBL10203043 0.77 TDP1 (0.38) TDP1HTTALDH1A1MAPK1
SCHEMBL10203067 0.74 FFAR4 (0.39) TDP1HTTKMT2AMAPK1GAA
SCHEMBL16903841 0.74 TDP1 (0.66) MAPTTDP1HTTKMT2AMAPK1
SCHEMBL30350812 0.72 SCN9A (0.50) SCN9AL3MBTL1MAPTHTTHAO1
SCHEMBL3406189 0.72 SCN9A (0.50) SCN9AL3MBTL1MAPTHTTHAO1
SCHEMBL10203065 0.72 SMN1; SMN2 (0.36) TDP1ALDH1A1MAPK1GAA
SCHEMBL10203077 0.72 NUDT1 (0.38) L3MBTL1TDP1MEN1KMT2ACYP1A2
SCHEMBL19511333 0.71 TDP1 (0.41) TDP1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 — — US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 — — US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 — — 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN9A 91/4885P2RX3 159/4885L3MBTL1 3585/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SCN9A 91/4885P2RX3 159/4885L3MBTL1 3585/4885

“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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