SCHEMBL5624637

SCHEMBL5624637

NC(=O)c1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
WDR5 P61964 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 2/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
POLB P06746 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
SCHEMBL30399927 0.84 LRRK2 (0.44) NPC1LMNAALDH1A1KDM4EMAPT
SCHEMBL5622961 0.83 CA1 (0.53) NPC1HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL14527061 0.82 MAOB (0.46) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL5624788 0.80 NPC1 (0.41) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL5622168 0.80 NOTUM (0.53) KDM4EMAPTNOTUM
SCHEMBL5622845 0.80 NOTUM (0.50) NPC1MAOBMAOANOTUM
SCHEMBL6505415 0.78 NPC1 (0.45) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL5624771 0.78 MAOB (0.46) LMNAMAOBMAOAPTGS1CALML3
SCHEMBL5623649 0.78 NOTUM (0.57) NPC1HPGDSMN1; SMN2RAB9ALMNA
SCHEMBL6505411 0.78 MAOB (0.48) NPC1HPGDSMN1; SMN2RAB9ATP53

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 NPC1 1030/4885HPGD 2140/4885SMN1; SMN2 4445/4885
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 NPC1 1030/4885HPGD 2140/4885SMN1; SMN2 4445/4885

“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.