SCHEMBL3755655

SCHEMBL3755655

NCC1CN(c2ccc(-n3cc(Cn4cncn4)nn3)c(F)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
MAOA P21397 8/20 0.43
MAOB P27338 6/20 0.43
CALML3 P27482 3/20 0.40
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
SDHA P31040 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL13054665 1.00 KCNH2 (0.44) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL3755648 0.87 MAOA (0.45) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL13054662 0.86 MAOA (0.57) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL13054656 0.86 MAOA (0.47) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL3758262 0.86 MAOA (0.47) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL13054645 0.86 MAOB (0.41) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL3758031 0.86 MAOB (0.41) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL13054698 0.85 MAOA (0.48) KCNH2MAOAMAOBCALML3LMNA
SCHEMBL13054740 0.85 MAOB (0.59) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL3753348 0.84 MAOB (0.46) MAOAMAOBCALML3LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 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-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP KCNH2 4604/4885MAOA 3034/4885MAOB 2709/4885

“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.