Sugi Predict

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SCHEMBL2916065

SCHEMBL2916065

N#C/C(=C\c1ccc(C#Cc2ccccc2)cc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ KDM4E B2RXH2 3/20 0.67
▸ PKM P14618 2/20 0.67
▸ ATM Q13315 1/20 0.67
▸ POLB P06746 3/20 0.59
▸ MEN1 O00255 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ EGFR P00533 4/20 0.53
▸ ERBB2 P04626 4/20 0.53
▸ GLA P06280 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ S100A4 P26447 1/20 0.48
▸ USP2 O75604 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL2909486 1.00 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL28653418 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL28653417 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL9642003 0.80 ALDH1A1 (1.00) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL20959563 0.78 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL19888568 0.78 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL2957854 0.78 ALDH1A1 (0.79) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL25200494 0.77 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL1791408 0.75 EGFR (0.71) ALDH1A1KDM4EEGFRCYP3A4HPGD
SCHEMBL23532040 0.75 EGFR (0.71) ALDH1A1KDM4EEGFRCYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 — — US claimed
EP-2220499-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH Yale University (US) 2010-08-25 — — EP claimed
WO-2009073141-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH STRITTMATTER STEPHEN M (US) 2009-06-11 — — WO claimed
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 — — US disclosed
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 — — US disclosed
US-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth YALE UNIVERSITY (US) 2011-03-17 — — US disclosed
EP-2220499-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH Yale University (US) 2010-08-25 — — EP disclosed
WO-2009073141-A2 NOGO RECEPTOR BINDING SMALL MOLECULES TO PROMOTE AXONAL GROWTH STRITTMATTER STEPHEN M (US) 2009-06-11 — — WO 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 (1 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-20110065715-A1 Nogo Receptor Binding Small Molecules to Promote Axonal Growth NGFR, GAP43, BDNF ALDH1A1 3175/4885KMT2A 4600/4885KDM4E 4494/4885

“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.