SCHEMBL4750052

SCHEMBL4750052

Nc1ccc(NC(=O)CCN2CCCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
POLB P06746 1/20 0.73
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
LMNA P02545 2/20 0.68
MAPT P10636 2/20 0.68
ALOX15 P16050 1/20 0.68
GLA P06280 1/20 0.65
ATM Q13315 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TSHR P16473 1/20 0.65
TERT O14746 10/20 0.65
MAPK1 P28482 1/20 0.64

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
SCHEMBL4750130 0.98 ALDH1A1 (0.70) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL4749143 0.90 ALDH1A1 (0.58) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL5151404 0.87 TP53 (0.74) ALDH1A1LMNAMAPTTERT
SCHEMBL4749808 0.85 ATM (0.75) POLBLMNAALOX15ATMTSHR
SCHEMBL13149726 0.85 KMT2A (0.97) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL14619097 0.85 KMT2A (0.76) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL3012622 0.84 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL22407743 0.84 KDM4E (0.69) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL4777614 0.84 KDM4E (0.69) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL24069015 0.84 KMT2A (0.71) ALDH1A1POLBKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB ALDH1A1 3516/4885POLB 1458/4885KMT2A 557/4885

“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.