SCHEMBL10094605

SCHEMBL10094605

Cc1ccccc1Nc1cccc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL10094185 0.78 XIAP (0.45) RAB9AMAPTNOS3NOS2MEN1
SCHEMBL9878020 0.78 SCN9A (0.53) NPC1RAB9AMAPTPKMNOS3
SCHEMBL2409178 0.76 NUDT1 (0.67) HTTNPC1RAB9ASLC2A1MAPK10
SCHEMBL9391731 0.76 ROCK1 (0.60) HTTNPC1RAB9ASLC2A1MAPK10
SCHEMBL10094589 0.75 GRM5 (0.50) HTTNPC1RAB9ASLC2A1LMNA
Hydrochloric Acid SCHEMBL9878692 0.73 NPC1 (0.55) HTTNPC1RAB9ASLC2A1MAPK10
SCHEMBL23443726 0.73 SLC2A1 (0.47) HTTNPC1RAB9ASLC2A1MAPK10
SCHEMBL7346798 0.73 MAPT (0.72) HTTNPC1RAB9ALMNAGAA
SCHEMBL29466334 0.73 MAPT (0.72) HTTNPC1RAB9ALMNAGAA
SCHEMBL15699050 0.72 KCNH2 (0.41) NPC1RAB9AGAAMAPTSMN1; SMN2

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 HTT 2474/4885NPC1 660/4885RAB9A 2246/4885

“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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