Sugi Predict

Sugi Predict / Compounds / SCHEMBL914741

SCHEMBL914741

SCHEMBL914741

C[C@H]1CN([C@@H](CO)CN2CCC(NC(=O)c3cc4c(OCC5CCC5)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ PARP1 P09874 3/20 0.35
▸ SLC2A1 P11166 2/20 0.35
▸ GUCY1B2 O75343 1/20 0.34
▸ GUCY1A2 P33402 1/20 0.34
▸ GUCY1A1 Q02108 1/20 0.34
▸ GUCY1B1 Q02153 1/20 0.34
▸ HTR1A P08908 6/20 0.34
▸ RHEB Q15382 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL913924 0.91 KMT2A (0.42) KMT2APARP1SLC2A1GUCY1B2GUCY1A2
SCHEMBL914364 0.91 KMT2A (0.42) KMT2APARP1SLC2A1GUCY1B2GUCY1A2
SCHEMBL4551076 0.89 HTR1A (0.33) KMT2APARP1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL914315 0.88 KMT2A (0.42) KMT2APARP1SLC2A1HTR1ATLR9
SCHEMBL914328 0.87 KMT2A (0.42) KMT2APARP1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL914354 0.86 KMT2A (0.40) KMT2APARP1SLC2A1GUCY1B2GUCY1A2
SCHEMBL914493 0.83 KMT2A (0.43) KMT2APARP1SLC2A1HTR1ATLR9
SCHEMBL13519606 0.81 KMT2A (0.39) KMT2APARP1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL2319128 0.81 KMT2A (0.39) KMT2APARP1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL4396942 0.80 PARP1 (0.34) KMT2APARP1GUCY1B2GUCY1A2GUCY1A1

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 9 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
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

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 4109/4885PARP1 2933/4885SLC2A1 820/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885PARP1 3011/4885SLC2A1 822/4885

“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.