SCHEMBL3364548

SCHEMBL3364548

O=CC(CC(=O)NCc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.62
▸ TACR1 P25103 3/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ MAPK14 Q16539 1/20 0.53
▸ BACE1 P56817 2/20 0.53
▸ MLYCD O95822 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ PLA2G1B P04054 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ NPC1 O15118 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
SCHEMBL3370068 0.83 TACR1 (0.64) BCHETACR1L3MBTL1LMNAMAPK14
SCHEMBL3367011 0.77 BCHE (0.57) BCHETACR1L3MBTL1MAPK14BACE1
SCHEMBL3369040 0.76 TACR1 (0.58) BCHETACR1L3MBTL1MAPK14BACE1
SCHEMBL5261051 0.76 MLYCD (0.80) L3MBTL1LMNAMAPK14MLYCDRAB9A
SCHEMBL8858523 0.76 ACP3 (0.48) BCHEL3MBTL1ALDH1A1MEN1CYP1A2
SCHEMBL9849523 0.76 MEN1 (0.70) TACR1L3MBTL1LMNAMAPK14BACE1
SCHEMBL30661718 0.75 MLYCD (0.65) L3MBTL1LMNAMAPK14MLYCDALDH1A1
SCHEMBL2420380 0.75 L3MBTL1 (0.68) L3MBTL1LMNAMAPK14MLYCDALDH1A1
SCHEMBL13884195 0.74 L3MBTL1 (0.64) L3MBTL1LMNAMAPK14BACE1MLYCD
SCHEMBL4501943 0.74 L3MBTL1 (0.64) L3MBTL1LMNAMAPK14MLYCDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 — — 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 BCHE 3983/4885TACR1 949/4885L3MBTL1 2790/4885

“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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