Sugi Predict

Sugi Predict / Compounds / SCHEMBL914587

SCHEMBL914587

SCHEMBL914587

CCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(C[C@@H]5CCCN6CCCC[C@H]56)CC4)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ MAPT P10636 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
SCHEMBL914266 0.92 DRD4 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1DYRK1A
SCHEMBL4396412 0.88 NPSR1 (0.36) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL916260 0.86 ALDH1A1 (0.45) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL913726 0.86 ALDH1A1 (0.45) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL914477 0.83 HTR7 (0.42) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL13593435 0.82 KMT2A (0.41) ALDH1A1RAB9ALMNAUSP2POLB
SCHEMBL913781 0.82 KMT2A (0.41) ALDH1A1RAB9ALMNAUSP2POLB
SCHEMBL6963676 0.81 KMT2A (0.41) ALDH1A1RAB9ALMNAPOLBKMT2A
SCHEMBL4405668 0.81 MCHR1 (0.36) ALDH1A1HPGDKMT2AMEN1DYRK1A
SCHEMBL914813 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ADYRK1AKDM4ENUDT1

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 10 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
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 ALDH1A1 1647/4885TP53 2533/4885RAB9A 389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ALDH1A1 1732/4885TP53 2531/4885RAB9A 389/4885

“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.