SCHEMBL10094249

SCHEMBL10094249

CC(C)c1cccnc1Nc1ccc2c(c1)COC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ BACE1 P56817 6/20 0.38
▸ BACE2 Q9Y5Z0 4/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GRM4 Q14833 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL11557211 0.81 SYK (0.50) SYKSMN1; SMN2BACE1BACE2PIK3CA
SCHEMBL10094259 0.76 TDP1 (0.49) SYKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11562332 0.75 MAPT (0.55) SYKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10094191 0.75 DHODH (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL10094260 0.74 ADRA2A (0.45) SYKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10094192 0.74 DHODH (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL10094254 0.74 RAB9A (0.54) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL10094258 0.73 GRM4 (0.54) SYKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10094180 0.73 NPC1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL10094166 0.71 CCNA2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD

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 4 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-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
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 SYK 4005/4885SMN1; SMN2 4477/4885NPC1 660/4885

“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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