Sugi Predict

Sugi Predict / Compounds / SCHEMBL915245

SCHEMBL915245

SCHEMBL915245

O=C(Nc1ccc(CCN2CCCCC2)cc1)c1cc2c(OCc3coc4ccc(Cl)cc34)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ PYGL P06737 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ MET P08581 3/20 0.38
▸ BDKRB1 P46663 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ RHEB Q15382 1/20 0.36
▸ NHERF1 O14745 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL914779 0.92 PYGL (0.37) PYGLMEN1KMT2ABDKRB1NHERF1
SCHEMBL4401898 0.89 ACHE (0.36) KDREGFRLMNAPTGER1MET
SCHEMBL914854 0.88 PYGL (0.52) PYGLMEN1KMT2ANHERF1NPC1
SCHEMBL914125 0.84 RHEB (0.42) KMT2ABDKRB1RHEBKDM4E
SCHEMBL914168 0.83 NPC1 (0.42) KMT2APTGER1BDKRB1RHEBNPC1
SCHEMBL4394211 0.81 BCHE (0.34) BDKRB1KDM4E
SCHEMBL914702 0.79 MEN1 (0.47) LMNAMEN1KMT2APTGER1NPC1
SCHEMBL914187 0.78 RHEB (0.42) BDKRB1RHEBMCHR1KDM4E
SCHEMBL914652 0.77 SRD5A2 (0.57) LMNAMEN1KMT2ARHEBNPC1
SCHEMBL4396426 0.76 BDKRB1 (0.37) BDKRB1KDM4E

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 KDR 171/4885EGFR 553/4885PYGL 3008/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDR 170/4885EGFR 541/4885PYGL 3080/4885

“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.