SCHEMBL6076002

SCHEMBL6076002

O=C(/C=C/c1ccccc1)NCCc1csc2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.53
MMP2 P08253 3/20 0.53
MMP9 P14780 3/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.48
MTNR1A P48039 3/20 0.46
MTNR1B P49286 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NLRP3 Q96P20 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 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
SCHEMBL6076006 1.00 MMP1 (0.53) MMP1MMP2MMP9POLBRECQL
SCHEMBL6075719 0.87 MAPT (0.57) MMP1MMP2MMP9POLBRECQL
SCHEMBL6075722 0.87 MAPT (0.57) MMP1MMP2MMP9POLBRECQL
SCHEMBL6076590 0.86 MTNR1A (0.47) MAPTMTNR1AMTNR1BHDAC10HDAC11
SCHEMBL6076586 0.86 MTNR1A (0.47) MAPTMTNR1AMTNR1BHDAC10HDAC11
SCHEMBL5336227 0.81 HDAC10 (0.55) KMT2AMAPTMTNR1AMTNR1BHDAC10
SCHEMBL6086462 0.80 MAPT (0.57) POLBKMT2AMAPTMTNR1AMTNR1B
SCHEMBL6076645 0.78 MTNR1A (0.72) MTNR1AMTNR1BHDAC10HDAC11HDAC8
SCHEMBL6075521 0.77 MTNR1A (0.57) MAPTMTNR1AMTNR1BHDAC10HDAC11
SCHEMBL6075756 0.76 MTNR1A (0.72) MTNR1AMTNR1BHDAC10HDAC11HDAC8

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 MMP1 4773/4885MMP2 3122/4885MMP9 3123/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MMP1 4773/4885MMP2 3122/4885MMP9 3123/4885

“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.