SCHEMBL10094390

SCHEMBL10094390

CC(C)c1ccccc1-c1cccc(C(=O)Nc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.62
▸ NT5E P21589 1/20 0.56
▸ ROCK2 O75116 6/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ TYK2 P29597 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KCNK3 O14649 2/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48

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
SCHEMBL10094389 0.87 SIRT2 (0.65) SIRT2KDM4ENPC1RAB9ALMNA
SCHEMBL10094383 0.82 NPC1 (0.59) KDM4ENPC1RAB9ALMNAHTT
SCHEMBL10094388 0.82 SIRT2 (0.63) SIRT2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL23479668 0.80 PDK2 (0.49) JAK2LMNAKCNK3KCNK9NR1H4
SCHEMBL12057348 0.78 NT5E (0.67) SIRT2NT5EROCK2JAK2TYK2
SCHEMBL2445126 0.78 ROCK2 (0.69) SIRT2NT5EROCK2POLBSTAT3
SCHEMBL10094392 0.77 KDM4E (0.50) KDM4EHTTALDH1A1PDE4B
SCHEMBL14246056 0.76 ROCK2 (0.70) ROCK2
SCHEMBL10094322 0.76 KMO (0.56) LMNANR1H4
SCHEMBL26356060 0.76 AKR1C3 (0.47) LMNAKCNK3KCNK9

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 SIRT2 722/4885NT5E 1634/4885ROCK2 1928/4885

“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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