SCHEMBL5394571

SCHEMBL5394571

CN(C[C@@H]1CN(c2ccc(N3CC(=S)N(C)C3)c(F)c2)C(=O)O1)C(O)=S

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.49
MAOA P21397 6/20 0.45
CALML3 P27482 5/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 3/20 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
SCHEMBL5392369 0.92 MAOB (0.49) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5381931 0.86 MAOB (0.49) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5388137 0.85 MAOB (0.51) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5404016 0.84 MAOB (0.52) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5390489 0.84 MAOB (0.50) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5385749 0.83 MAOB (0.49) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5393418 0.83 MAOB (0.46) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7950997 0.83 MAOB (0.65) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7950993 0.83 MAOB (0.65) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5391040 0.82 MAOB (0.46) MAOBMAOACALML3LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES INC. 2004-03-25 US claimed
US-7223758-B2 Pyridazine derivative, pharmaceutical composition thereof, its pharmaceutical use, and process for its preparation SANOFI-AVENTIS (FR) 2007-05-29 US disclosed
US-20050165017-A1 Pyridazine derivative, pharmaceutical composition thereof, its pharmaceutical use, and process for its preparation AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
US-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION 2003-04-03 US disclosed
US-4058662-A Process for the substitution of chlorine atoms of cyanuric chloride DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-11-15 US 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 (3 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-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX MAOB 364/4885MAOA 460/4885CALML3 3452/4885
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX MAOB 348/4885MAOA 456/4885CALML3 3458/4885
US-20050165017-A1 Pyridazine derivative, pharmaceutical composition thereof, its pharmaceutical use, and process for its preparation CYP3A5, IL5, CYP2C19 MAOB 202/4885MAOA 412/4885CALML3 3690/4885

“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.