Sugi Predict

Sugi Predict / Compounds / SCHEMBL913848

SCHEMBL913848

SCHEMBL913848

COc1cc(OC)c2c(COc3cccc4[nH]c(C(=O)NC5CCN(C[C@H](C)N6CCC(O)CC6)CC5)cc34)coc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SLC2A1 P11166 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ ACHE P22303 3/20 0.35
▸ BCHE P06276 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL916293 0.94 KMT2A (0.40) KMT2ATLR9TLR8TLR7POLB
SCHEMBL914118 0.92 DRD2 (0.41) KMT2AMAOBPOLBUSP2DRD2
SCHEMBL913910 0.92 KMT2A (0.38) KMT2ATLR9TLR8TLR7MAOB
SCHEMBL914491 0.92 MAOB (0.43) KMT2ATLR9TLR8TLR7MAOB
SCHEMBL4400742 0.90 MCHR1 (0.36) TLR9TLR8TLR7MAOBPOLB
SCHEMBL6965058 0.89 SLC2A1 (0.41) KMT2ASLC2A1KCNH2MCHR1HTR1A
SCHEMBL913655 0.88 MCHR1 (0.39) KMT2ATLR9TLR8TLR7MAOB
SCHEMBL915891 0.88 KMT2A (0.38) KMT2ATLR9TLR8TLR7MAOB
Hydrochloric Acid SCHEMBL914319 0.88 SLC2A1 (0.40) KMT2ASLC2A1KCNH2MCHR1HTR1A
SCHEMBL6963270 0.88 KMT2A (0.40) KMT2ATLR9TLR8TLR7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4109/4885TLR9 179/4885TLR8 521/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885TLR9 176/4885TLR8 526/4885

“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.