SCHEMBL14082195

SCHEMBL14082195

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.65
▸ MAPK14 Q16539 1/20 0.62
▸ TRPV1 Q8NER1 1/20 0.60
▸ KDM1A O60341 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PLA2G1B P04054 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ ATG4B Q9Y4P1 1/20 0.58
▸ LMNA P02545 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HPGDS O60760 2/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ MAPT P10636 1/20 0.52

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
SCHEMBL14082650 0.90 MLYCD (0.67) MLYCDMAPK14KDM1AHDAC1MEN1
SCHEMBL14082340 0.86 MLYCD (0.61) MLYCDMAPK14KDM1AHDAC1MEN1
SCHEMBL14082238 0.85 HPGDS (0.56) LMNARAB9AHPGDSMAPK1MAPT
SCHEMBL5261051 0.84 MLYCD (0.80) MLYCDMAPK14MEN1PLA2G1BCYP1A2
SCHEMBL14082625 0.84 HDAC1 (0.69) MLYCDMAPK14KDM1AHDAC1LMNA
SCHEMBL14082179 0.83 HPGDS (0.73) HDAC1LMNARAB9AHPGDSMAPK1
SCHEMBL14009838 0.83 MLYCD (0.60) MLYCDMAPK14KDM1AHDAC1MEN1
SCHEMBL3821823 0.83 MLYCD (0.60) MLYCDMAPK14KDM1AHDAC1MEN1
SCHEMBL5227678 0.83 MLYCD (0.86) MLYCDMAPK14MEN1PLA2G1BCYP1A2
SCHEMBL14082685 0.83 HDAC1 (0.61) MLYCDMAPK14KDM1AHDAC1MEN1

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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 MLYCD 2767/4885MAPK14 1689/4885TRPV1 1/4885

“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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