SCHEMBL442982

SCHEMBL442982

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCOC4=O)nc3)c(F)c2)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.60
MAOB P27338 4/20 0.59
CALML3 P27482 4/20 0.59
PTGS1 P23219 2/20 0.59
SDHA P31040 2/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL463725 0.92 MAOA (0.50) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL2896187 0.91 MAOA (0.61) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6793136 0.89 MAOA (0.69) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL12964760 0.89 MAOA (0.59) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL411101 0.88 CALML3 (0.66) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL4173652 0.88 MAOA (0.63) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL4173660 0.88 MAOA (0.63) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL4171585 0.88 MAOA (0.61) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL4171562 0.88 MAOA (0.61) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6792072 0.87 MAOA (0.62) MAOAMAOBCALML3PTGS1SDHA

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-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US claimed
US-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof DONG A PHARM. CO., LTD. (KR) 2003-09-04 US claimed
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 US disclosed
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed
US-6689779-B2 PYRIDINE OR PYRIMIDINE SUBSTITUTED; ANTIBACTERIAL ACTIVITY; LOW TOXICITY DONG A PHARM. CO., LTD. (KR) 2004-02-10 US disclosed
US-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof DONG A PHARM. CO., LTD. (KR) 2003-09-04 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 (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-20030166620-A1 Novel oxazolidinone derivatives and a process for the preparation thereof OXA1L, ODC1, PDCD4 MAOA 763/4885MAOB 593/4885CALML3 4610/4885
US-20120065170-A1 Antimicrobial Cyclocarbonyl Heterocyclic Compounds For Treatment Of Bacterial Infections NISCH, SI, VIP MAOA 853/4885MAOB 427/4885CALML3 1652/4885

“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.