SCHEMBL5623713

SCHEMBL5623713

O=C1c2ccccc2C(=O)N1Cc1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
RPS6KA3 P51812 1/20 0.43
RPS6KA2 Q15349 1/20 0.43
MAPT P10636 1/20 0.43
RXRA P19793 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL6346557 0.84 MAOA (0.44) RXRAGRIN1GRIN2BMAOAMAOB
SCHEMBL6533967 0.83 ADRA1D (0.42) ADRA1DADRA1AADRA1BALOX15TYR
SCHEMBL6532784 0.81 RBP4 (0.41) ADRA1DADRA1AADRA1BALOX15TYR
SCHEMBL6529845 0.81 GPR119 (0.46) ADRA1DADRA1AADRA1BKDM1A
SCHEMBL5622845 0.80 NOTUM (0.50) RXRAGRIN1GRIN2BMAOAMAOB
SCHEMBL5622168 0.80 NOTUM (0.53) KDM4EMAPTRXRAGRIN1GRIN2B
SCHEMBL6527396 0.78 ADRA1D (0.37) ALDH1A1ADRA1DADRA1AADRA1BMAOA
SCHEMBL6925271 0.78 TYR (0.38) MAPTRXRAGRIN1GRIN2BMAOA
SCHEMBL6505415 0.76 NPC1 (0.45) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL5625309 0.75 RXRA (0.66) RXRAGRIN1GRIN2B

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 8 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-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-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 ALDH1A1 2745/4885KDM4E 4118/4885CYP1A2 27/4885
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 ALDH1A1 2745/4885KDM4E 4118/4885CYP1A2 27/4885

“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.