SCHEMBL14082686

SCHEMBL14082686

O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.64
▸ KDM1A O60341 9/20 0.64
▸ WDR5 P61964 1/20 0.52
▸ EIF4E P06730 1/20 0.50
▸ MLYCD O95822 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL14082650 0.86 MLYCD (0.67) HDAC1KDM1AMLYCDMEN1PLA2G1B
SCHEMBL14082625 0.84 HDAC1 (0.69) HDAC1KDM1AMLYCDHDAC6HDAC4
SCHEMBL14082607 0.84 HDAC1 (0.72) HDAC1KDM1AMLYCDHDAC8HDAC6
SCHEMBL14082732 0.84 HDAC1 (0.66) HDAC1KDM1AHDAC8HDAC6HDAC5
SCHEMBL14082403 0.84 HDAC1 (0.61) HDAC1KDM1AWDR5HDAC8HDAC6
SCHEMBL14082685 0.83 HDAC1 (0.61) HDAC1KDM1AMLYCDMEN1PLA2G1B
SCHEMBL14082684 0.82 HDAC1 (0.63) HDAC1KDM1AHDAC8HDAC6HDAC5
SCHEMBL14082601 0.82 HDAC1 (0.66) HDAC1KDM1AHDAC8HDAC6HDAC5
SCHEMBL14082644 0.82 KDM1A (0.60) HDAC1KDM1AMEN1KMT2ATDP1
SCHEMBL14082243 0.81 TAOK1 (0.62) HDAC1KDM1AWDR5HDAC8HDAC6

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 4497/4885WDR5 3581/4885

“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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