SCHEMBL6318005

SCHEMBL6318005

O=C(O)[C@H](Cc1ccccc1)N(Cc1cnc(N2CCN(Cc3ccccc3)CC2)s1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SLC6A12 P48065 1/20 0.42
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL6318318 1.00 BCHE (0.46) BCHEALDH1A1SLC6A12GAASMN1; SMN2
SCHEMBL6315785 0.93 SMN1; SMN2 (0.39) BCHEALDH1A1GAASMN1; SMN2
SCHEMBL6315793 0.93 SMN1; SMN2 (0.39) BCHEALDH1A1GAASMN1; SMN2
SCHEMBL6323037 0.92 ALDH1A1 (0.38) BCHEALDH1A1SLC6A12
SCHEMBL6323034 0.92 ALDH1A1 (0.38) BCHEALDH1A1SLC6A12
SCHEMBL6325265 0.89 SLC6A12 (0.38) BCHEALDH1A1SLC6A12
SCHEMBL6325272 0.89 SLC6A12 (0.38) BCHEALDH1A1SLC6A12
SCHEMBL6317028 0.84 CYP1A2 (0.42) SIGMAR1
SCHEMBL6317022 0.84 CYP1A2 (0.42) SIGMAR1
SCHEMBL6316624 0.79 CYP1A2 (0.38) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
CN-1870967-A Hair conditioning composition UNILEVER NV (NL) 2006-11-29 CN disclosed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-6866383-B2 Topcoat compositions, substrates containing a topcoat derived therefrom, and methods of preparing the same AVERY DENNISON CORPORATION (US) 2005-03-15 US disclosed
CN-1553853-A Topcoat compositions, substrates containing a topcoat derived therefrom, and methods of preparing the same 艾弗里・丹尼森公司 2004-12-08 CN disclosed
EP-1419048-A4 TOPCOAT COMPOSITIONS, SUBSTRATES CONTAINING A TOPCOAT DERIVED THEREFROM, AND METHODS OF PREPARING THE SAME AVERY DENNISON CORP (US) 2004-10-13 EP disclosed
EP-1419048-A1 TOPCOAT COMPOSITIONS, SUBSTRATES CONTAINING A TOPCOAT DERIVED THEREFROM, AND METHODS OF PREPARING THE SAME AVERY DENNISON CORPORATION (US) 2004-05-19 EP disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US disclosed
US-20030112311-A1 Topcoat compositions, substrates containing a topcoat derived therefrom, and methods of preparing the same AVERY DENNISON CORPORATION 2003-06-19 US disclosed
WO-2003016045-A1 TOPCOAT COMPOSITIONS, SUBSTRATES CONTAINING A TOPCOAT DERIVED THEREFROM, AND METHODS OF PREPARING THE SAME AVERY DENNISON CORPORATION (US) 2003-02-27 WO disclosed
EP-0771670-B1 Mordanting substrates and agents IRIS GRAPHICS INC (US) 2002-02-20 EP disclosed
US-6093447-A MAKING A SUBSTRATE FOR PRINTING SUCH AS INK JET PRINTING BY INCORPORATING INTO A POROUS SUBSTRATE A MORDANTING AGENT COMPRISING A MIXTURE OF A PHOSPHOLIPID AND A POLYQUATERNARY CELLULOSIC POLYMER; IMMOBILIZATION OF DYE; NO DOT SPREADING IRIS GRAPHICS, INC. (US) 2000-07-25 US disclosed
EP-0771670-A1 Mordanting substrates and agents IRIS GRAPHICS, INC. (US) 1997-05-07 EP 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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS BCHE 1667/4885ALDH1A1 245/4885SLC6A12 2009/4885

“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.