SCHEMBL10094381

SCHEMBL10094381

CC(C)c1ccccc1-c1cccc(C(=O)NCc2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ HTT P42858 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 6/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ BLM P54132 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL10094395 0.88 CFD (0.60) HTTKMT2AALDH1A1POLB
SCHEMBL1928843 0.83 SMN1; SMN2 (0.65) SMN1; SMN2HTTKMT2AL3MBTL1NPSR1
SCHEMBL10094389 0.81 SIRT2 (0.65) SMN1; SMN2HTTKMT2AL3MBTL1ALDH1A1
SCHEMBL884585 0.80 KCNA5 (0.66) SMN1; SMN2HTTKMT2ANPSR1ALDH1A1
SCHEMBL10094338 0.77 FYN (0.48) SMN1; SMN2HTTKMT2AALDH1A1HPGD
SCHEMBL13702277 0.77 L3MBTL1 (0.64) HTTKMT2AL3MBTL1NPSR1ALDH1A1
SCHEMBL13947589 0.77 LMNA (0.78) SMN1; SMN2HTTL3MBTL1NPSR1ALDH1A1
SCHEMBL14030202 0.77 L3MBTL1 (0.64) HTTKMT2AL3MBTL1NPSR1ALDH1A1
SCHEMBL885046 0.76 KCNA5 (0.67) SMN1; SMN2HTTKMT2AHPGDRAB9A
SCHEMBL16286234 0.76 HTT (0.56) SMN1; SMN2HTTKMT2ANPSR1ALDH1A1

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 4477/4885HTT 2474/4885KMT2A 278/4885

“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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