SCHEMBL14082601

SCHEMBL14082601

CN(C)c1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)ccn3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.66
▸ KDM1A O60341 7/20 0.66
▸ HDAC4 P56524 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ LSS P48449 1/20 0.54
▸ HDAC2 Q92769 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ ROCK2 O75116 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL14082607 0.86 HDAC1 (0.72) HDAC1KDM1ALSSHDAC2HDAC8
SCHEMBL14082625 0.86 HDAC1 (0.69) HDAC1KDM1AHDAC4HDAC6ROCK2
SCHEMBL14082732 0.85 HDAC1 (0.66) HDAC1KDM1AALDH1A1LSSHDAC2
SCHEMBL14082296 0.85 KDM4E (0.65) HDAC1KDM1AHDAC4KDM4EALDH1A1
SCHEMBL14082650 0.83 MLYCD (0.67) HDAC1KDM1AROCK2ROCK1
SCHEMBL14082686 0.82 HDAC1 (0.64) HDAC1KDM1AHDAC4HDAC2HDAC8
SCHEMBL14082684 0.82 HDAC1 (0.63) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL14082666 0.81 HDAC1 (0.58) HDAC1KDM1AHDAC4ALDH1A1HDAC2
SCHEMBL14082165 0.80 KDM4E (0.61) HDAC1KDM1AHDAC4KDM4EALDH1A1
SCHEMBL14082729 0.80 KDM1A (0.61) HDAC1KDM1AALDH1A1HTTCA2

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 HDAC1 556/4885KDM1A 4497/4885HDAC4 794/4885

“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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