SCHEMBL5623640

SCHEMBL5623640

O=C1CCN(c2ccc(-n3cc(CO)nn3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 19/20 0.51
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5622918 0.84 NOTUM (0.52) NOTUMKDM4EMAPTL3MBTL1
SCHEMBL5622168 0.84 NOTUM (0.53) NOTUMKDM4EMAPT
SCHEMBL5625779 0.82 NOTUM (0.43) NOTUM
SCHEMBL19211402 0.78 NOTUM (0.66) NOTUMKDM4EMAPTL3MBTL1
SCHEMBL5623797 0.75 ALDH1A1 (0.43) KDM4EMAPT
SCHEMBL14527020 0.75 NOTUM (0.53) NOTUM
SCHEMBL6650156 0.75 ALDH1A1 (0.37) NOTUMKDM4EMAPT
SCHEMBL5924218 0.75 NOTUM (0.55) NOTUMKDM4EMAPTL3MBTL1
SCHEMBL28754975 0.74 ALDH1A1 (0.33)
SCHEMBL14527037 0.73 NOTUM (0.48) NOTUM

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-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-20050209223-A1 Novel antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2005-09-22 US disclosed
US-6914058-B2 1-(p-(thiomorpholino)phenyl)-1,2,3-triazole derivatives DR. REDDY'S LABORATORIES, LIMITED (IN) 2005-07-05 US disclosed
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2005-05-26 US disclosed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 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-20050209223-A1 Novel antibacterial compounds: process for their preparation and pharmaceutical compositions containing them CYP3A4, CYP3A43, CYP3A5 NOTUM 4524/4885KDM4E 4118/4885MAPT 48/4885
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 NOTUM 4524/4885KDM4E 4118/4885MAPT 48/4885

“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.