SCHEMBL4816969

SCHEMBL4816969

CSc1nc(Cl)cc(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PDK1 Q15118 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7873581 0.86 KDM4E (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL29389980 0.80 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7521036 0.80 KDM4E (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1012956 0.80 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL17413751 0.80 NPC1 (0.53) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1013065 0.79 ALDH1A1 (0.42) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1011410 0.78 HSP90AA1 (0.62) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL22712349 0.77 DHODH (0.44) NPC1RAB9AGAAPOLBALDH1A1
SCHEMBL3624341 0.74 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3874666 0.74 LMNA (0.54) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 — — US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 — — US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 — — US disclosed
EP-1789413-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2007-05-30 — — EP disclosed
WO-2006031852-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-03-23 — — WO disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 — — 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 NPC1 3555/4885RAB9A 1893/4885KMT2A 3883/4885

“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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