SCHEMBL6075722

SCHEMBL6075722

O=C(C=Cc1ccccc1)NCCc1csc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
NLRP3 Q96P20 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
MMP1 P03956 1/20 0.53
POLB P06746 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
RECQL P46063 1/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CMA1 P23946 1/20 0.48

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
SCHEMBL6075719 1.00 MAPT (0.57) MAPTNLRP3ALDH1A1HPGDMMP1
SCHEMBL6076006 0.87 MMP1 (0.53) MAPTNLRP3ALDH1A1HPGDMMP1
SCHEMBL6076002 0.87 MMP1 (0.53) MAPTNLRP3ALDH1A1HPGDMMP1
SCHEMBL6076318 0.86 MAPT (0.51) MAPTHPGDKEAP1NFE2L2CMA1
SCHEMBL6076315 0.86 MAPT (0.51) MAPTHPGDKEAP1NFE2L2CMA1
SCHEMBL4323833 0.82 KEAP1 (0.63) MAPTKEAP1NFE2L2
SCHEMBL6076266 0.81 KEAP1 (0.56) MAPTKEAP1NFE2L2
SCHEMBL6076677 0.78 MTNR1A (0.72) MAPTKEAP1NFE2L2
SCHEMBL6075758 0.76 MTNR1A (0.56) MAPTKEAP1NFE2L2
SCHEMBL6075721 0.76 MTNR1A (0.53) MAPTKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3560/4885NLRP3 4396/4885ALDH1A1 1013/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR MAPT 3560/4885NLRP3 4396/4885ALDH1A1 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.