SCHEMBL8267685

SCHEMBL8267685

CC(CN1CCCC1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
GFER P55789 2/20 0.69
KDM4E B2RXH2 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.53
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL7792404 0.98 ALDH1A1 (0.67) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL11494791 0.88 KDM4E (0.55) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL8354133 0.85 ALDH1A1 (0.70) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL21650991 0.84 ALDH1A1 (0.59) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL16572388 0.83 ALDH1A1 (0.68) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL5510459 0.83 ALDH1A1 (0.68) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL8305793 0.83 ALDH1A1 (0.63) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL13039128 0.83 ALDH1A1 (0.50) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL13039127 0.83 ALDH1A1 (0.50) ALDH1A1GFERKDM4EL3MBTL1KMT2A
SCHEMBL13079103 0.82 ALDH1A1 (0.69) ALDH1A1GFERKDM4EL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 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-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 3516/4885GFER 3601/4885KDM4E 882/4885

“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.