SCHEMBL14082729

SCHEMBL14082729

O=C(NCc1cccnc1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ SORT1 Q99523 1/20 0.61
▸ MAPT P10636 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ BTK Q06187 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ VNN1 O95497 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ CA2 P00918 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MLYCD O95822 1/20 0.51
▸ NAMPT P43490 1/20 0.51

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
SCHEMBL14082625 0.89 HDAC1 (0.69) KDM1AHDAC1MAPTLMNAMAPK1
SCHEMBL14082650 0.88 MLYCD (0.67) KDM1AHDAC1LMNAMAPK1MEN1
SCHEMBL14082607 0.87 HDAC1 (0.72) KDM1AHDAC1SORT1LMNASMN1; SMN2
SCHEMBL14082685 0.85 HDAC1 (0.61) KDM1AHDAC1MAPK1MEN1KMT2A
SCHEMBL11625535 0.85 ALDH1A1 (0.76) SORT1MAPTLMNAALDH1A1HTT
SCHEMBL14082468 0.84 MMP13 (0.61) KDM1AHDAC1MAPTLMNAALDH1A1
SCHEMBL11626058 0.83 VNN1 (0.67) SORT1MAPTLMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL11627866 0.82 VNN1 (0.65) SORT1MAPTLMNAALDH1A1HTT
SCHEMBL14082649 0.82 ROCK2 (0.64) KDM1AHDAC1LMNAMEN1KMT2A
SCHEMBL14082639 0.81 EPHX2 (0.64) LMNAL3MBTL1MEN1KMT2AGAA

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 KDM1A 4497/4885HDAC1 556/4885SORT1 4230/4885

“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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