SCHEMBL10094401

SCHEMBL10094401

CC(=O)Nc1ccc(-c2cc(F)ccc2C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ POLB P06746 2/20 0.49
▸ GAA P10253 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ IDO1 P14902 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL10094406 0.85 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1GAAALDH1A1MAPT
SCHEMBL10094417 0.79 ROCK2 (0.39) ROCK2CA12CA1CA2CA9
SCHEMBL10094319 0.79 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL10094454 0.77 ROCK2 (0.46) SMN1; SMN2HTTROCK2HDAC2ALDH1A1
SCHEMBL10094416 0.77 MAP2K4 (0.49) L3MBTL1
SCHEMBL10094453 0.77 PTGS1 (0.48) ROCK2
SCHEMBL10094403 0.76 PARP14 (0.53) SMN1; SMN2GAAALDH1A1KDM4EHPGD
SCHEMBL24878628 0.76 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1HTTKMT2AMEN1
SCHEMBL24869058 0.75 RECQL (0.52) SMN1; SMN2L3MBTL1KMT2AMEN1POLB
SCHEMBL10094399 0.75 ACHE (0.43) SMN1; SMN2KMT2AMEN1NCOR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 SMN1; SMN2 4477/4885L3MBTL1 519/4885HTT 2474/4885

“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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