Sugi Predict

Sugi Predict / Compounds / SCHEMBL2245477

SCHEMBL2245477

SCHEMBL2245477

COc1ccc(N2CCN[C@H](C)C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ GHSR Q92847 8/20 0.47
▸ MAPT P10636 1/20 0.44
▸ KHK P50053 2/20 0.44
▸ ACACB O00763 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ CHRM4 P08173 1/20 0.39
▸ BCL2A1 Q16548 2/20 0.39
▸ BRPF1 P55201 2/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL5270098 1.00 TLR9 (0.47) TLR9TLR8TLR7GHSRMAPT
SCHEMBL8110949 0.89 TLR9 (0.45) TLR9TLR8TLR7GHSRMAPT
SCHEMBL8270689 0.87 TLR9 (0.55) TLR9TLR8TLR7GHSRMAPT
SCHEMBL2243476 0.87 TLR9 (0.55) TLR9TLR8TLR7GHSRMAPT
Hydrochloric Acid SCHEMBL4572995 0.86 TLR9 (0.54) TLR9TLR8TLR7GHSRMAPT
SCHEMBL2252323 0.85 CHRM2 (0.42) TLR9TLR8TLR7GHSRMAPT
SCHEMBL2248995 0.85 TLR9 (0.43) TLR9TLR8TLR7GHSRMAPT
SCHEMBL8097421 0.85 ACACB (0.46) TLR9TLR8TLR7GHSRMAPT
SCHEMBL5274632 0.85 CHRM2 (0.42) TLR9TLR8TLR7GHSRMAPT
SCHEMBL20159005 0.84 MAPT (0.49) TLR9TLR8TLR7GHSRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US claimed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — 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 (2 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD TLR9 2318/4885TLR8 2402/4885TLR7 2496/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD TLR9 2426/4885TLR8 2358/4885TLR7 2490/4885

“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.