SCHEMBL6505423

SCHEMBL6505423

OC(=S)NCc1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
KDM1A O60341 1/20 0.47
IDO1 P14902 1/20 0.44
RXRA P19793 7/20 0.43
GRIN1 Q05586 7/20 0.43
GRIN2B Q13224 7/20 0.43
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
MIF P14174 2/20 0.41
NTRK1 P04629 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NOTUM Q6P988 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL5623205 0.92 MAOB (0.47) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL5624771 0.91 MAOB (0.46) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL5624086 0.90 MAOB (0.46) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL5623163 0.88 MAOB (0.44) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL6505411 0.87 MAOB (0.48) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL5623649 0.87 NOTUM (0.57) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL14527061 0.87 MAOB (0.46) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL5623214 0.85 MAOB (0.45) MAOBMAOAKDM1AIDO1RXRA
SCHEMBL5622479 0.85 ALDH1A1 (0.48) MAOBMAOAKDM1AIDO1LMNA
SCHEMBL6532336 0.84 NOTUM (0.47) MAOBMAOAKDM1AIDO1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 MAOB 763/4885MAOA 1001/4885KDM1A 4388/4885

“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.