SCHEMBL10094259

SCHEMBL10094259

CC(C)c1cccnc1Nc1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ TUBB4A P04350 5/20 0.48
▸ TUBB P07437 5/20 0.48
▸ TUBA3C P0DPH7 5/20 0.48
▸ TUBA1B P68363 5/20 0.48
▸ TUBA4A P68366 5/20 0.48
▸ TUBB4B P68371 5/20 0.48
▸ TUBB3 Q13509 5/20 0.48
▸ TUBB2A Q13885 5/20 0.48
▸ TUBB8 Q3ZCM7 5/20 0.48
▸ TUBA3E Q6PEY2 5/20 0.48
▸ TUBA1A Q71U36 5/20 0.48
▸ TUBA1C Q9BQE3 5/20 0.48
▸ TUBB6 Q9BUF5 5/20 0.48
▸ TUBB2B Q9BVA1 5/20 0.48
▸ TUBB1 Q9H4B7 5/20 0.48
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ ADRA1D P25100 1/20 0.47

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
SCHEMBL1375701 0.78 RAB9A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1375914 0.77 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16494401 0.76 RAB9A (0.61) TDP1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL1372455 0.76 ATM (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10094249 0.76 SYK (0.48) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12172543 0.75 CLK1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10094484 0.75 HSP90AA1 (0.51) TDP1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL10094191 0.75 DHODH (0.51) TDP1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL10094260 0.74 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10094254 0.74 RAB9A (0.54) TDP1RAB9ANPC1SMN1; SMN2ALDH1A1

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 TDP1 2991/4885TUBB4A 2378/4885TUBB 1696/4885

“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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