SCHEMBL6075945

SCHEMBL6075945

CCCC(=O)NCC1=c2ccc(Sc3ccccn3)cc2=COC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GCK P35557 11/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL6077217 0.80 CYP2C19 (0.42) HPGDKMT2AALDH1A1MEN1CYP3A4
SCHEMBL7201687 0.78 MTNR1A (0.45)
SCHEMBL6075940 0.77 MTNR1A (0.36) HPGDKMT2AALDH1A1MEN1GCK
SCHEMBL7203251 0.66 MTNR1A (0.43) SMN1; SMN2
SCHEMBL6076237 0.62 MEN1 (0.38) KMT2AALDH1A1MEN1CYP2C19L3MBTL1
SCHEMBL1690435 0.61 HPGD (0.68) HPGDKMT2AALDH1A1MEN1CYP3A4
SCHEMBL8620106 0.60 HPGD (0.62) HPGDKMT2AALDH1A1MEN1RAB9A
SCHEMBL14753610 0.58 CYP3A4 (0.50) HPGDKMT2AMEN1CYP3A4CYP2C19
Butyric Acid SCHEMBL15845048 0.57 ALDH1A1 (0.61) HPGDKMT2AALDH1A1MEN1RAB9A
Methyl Alcohol SCHEMBL11273876 0.57 L3MBTL1 (0.66) HPGDKMT2AALDH1A1MEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 US disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 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 (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-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR HPGD 2419/4885KMT2A 1322/4885ALDH1A1 1013/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR HPGD 2419/4885KMT2A 1322/4885ALDH1A1 1013/4885

“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.