SCHEMBL2522942

SCHEMBL2522942

Clc1ccc2c(NC34CC5CC(CC(C5)C3)C4)ccnc2c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.70
▸ ACHE P22303 3/20 0.70
▸ KMT5B Q4FZB7 1/20 0.54
▸ KMT5C Q86Y97 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CCR1 P32246 1/20 0.51
▸ NR4A2 P43354 1/20 0.50
▸ FERMT2 Q96AC1 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NSD2 O96028 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
SCHEMBL12210458 0.81 BCHE (0.87) BCHEACHECYP1A2KMT2ACCR1
SCHEMBL11883617 0.80 SMN1; SMN2 (0.50) BCHEACHEFERMT2
Hydrochloric Acid SCHEMBL29684136 0.78 CYP1A2 (0.54) BCHEACHEKMT5BKMT5CCYP1A2
SCHEMBL19556600 0.74 NR4A2 (0.51) BCHEACHEKMT5BKMT5CCYP1A2
SCHEMBL7206080 0.73 KMT5B (0.79) BCHEACHEKMT5BKMT5CCYP1A2
SCHEMBL7206069 0.73 KMT5B (0.79) BCHEACHEKMT5BKMT5CCYP1A2
SCHEMBL6870026 0.73 KMT5B (0.60) BCHEACHEKMT5BKMT5CKMT2A
SCHEMBL6872121 0.73 KMT5B (0.89) KMT5BKMT5CCYP1A2MAPTKMT2A
SCHEMBL7207215 0.73 KMT5B (0.89) KMT5BKMT5CCYP1A2MAPTKMT2A
SCHEMBL6872111 0.73 KMT5B (0.89) KMT5BKMT5CCYP1A2MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481543-B2 Compounds for treating parasitic disease OREGON HEALTH & SCIENCE UNIVERSITY (US) 2013-07-09 — — US disclosed
US-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY 2011-10-13 — — US disclosed
WO-2010059633-A2 COMPOUNDS FOR TREATING PARASITIC DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-05-27 — — WO 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-20110251209-A1 COMPOUNDS FOR TREATING PARASITIC DISEASE EPX, CFTR, TERT BCHE 493/4885ACHE 1932/4885KMT5B 1722/4885

“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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