SCHEMBL16805006

SCHEMBL16805006

CCOc1cc(OCc2ccccc2)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ BRD4 O60885 2/20 0.39
▸ GCK P35557 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL16782993 0.92 NPC1 (0.46) PTGER1SMN1; SMN2NPC1RAB9AGCK
SCHEMBL16782970 0.89 PDE4D (0.46) PTGER1SMN1; SMN2NPC1RAB9AGCK
SCHEMBL16804969 0.87 PTGER1 (0.51) PTGER1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16783018 0.87 NPC1 (0.44) PTGER1SMN1; SMN2NPC1RAB9AGCK
SCHEMBL16783087 0.86 RAB9A (0.42) PTGER1SMN1; SMN2NPC1RAB9AGCK
SCHEMBL16783102 0.86 NPC1 (0.46) PTGER1SMN1; SMN2NPC1RAB9AGCK
SCHEMBL16783036 0.85 NPC1 (0.48) PTGER1SMN1; SMN2NPC1RAB9AGCK
SCHEMBL16783019 0.84 NPC1 (0.40) SMN1; SMN2NPC1RAB9AGCKALDH1A1
SCHEMBL16805008 0.84 NOTUM (0.43) SMN1; SMN2NPC1RAB9ABRD4LMNA
SCHEMBL16783044 0.83 NPC1 (0.40) PTGER1SMN1; SMN2NPC1RAB9AGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 PTGER1 244/4885SMN1; SMN2 2629/4885NPC1 599/4885

“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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