SCHEMBL14082650

SCHEMBL14082650

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.67
▸ KDM1A O60341 3/20 0.65
▸ HDAC1 Q13547 3/20 0.65
▸ MAPK14 Q16539 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ PLA2G1B P04054 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ATG4B Q9Y4P1 1/20 0.59
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ROCK2 O75116 4/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ ROCK1 Q13464 3/20 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
SCHEMBL14082685 0.92 HDAC1 (0.61) MLYCDKDM1AHDAC1MAPK14MEN1
SCHEMBL14082625 0.92 HDAC1 (0.69) MLYCDKDM1AHDAC1MAPK14MAPK1
SCHEMBL14082340 0.91 MLYCD (0.61) MLYCDKDM1AHDAC1MAPK14MEN1
SCHEMBL14082195 0.90 MLYCD (0.65) MLYCDKDM1AHDAC1MAPK14MEN1
SCHEMBL14082649 0.89 ROCK2 (0.64) MLYCDKDM1AHDAC1MAPK14MEN1
SCHEMBL14082729 0.88 KDM1A (0.61) MLYCDKDM1AHDAC1MEN1KMT2A
SCHEMBL14082607 0.87 HDAC1 (0.72) MLYCDKDM1AHDAC1MAPK14CYP3A4
SCHEMBL3821823 0.86 MLYCD (0.60) MLYCDKDM1AHDAC1MAPK14MEN1
SCHEMBL14009838 0.86 MLYCD (0.60) MLYCDKDM1AHDAC1MAPK14MEN1
SCHEMBL14082686 0.86 HDAC1 (0.64) MLYCDKDM1AHDAC1MEN1KMT2A

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 2767/4885KDM1A 4497/4885HDAC1 556/4885

“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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