SCHEMBL5383830

SCHEMBL5383830

CN1CCN(c2ccc(N3C(=O)OCC3CN)cc2F)C1=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.34
MAOA P21397 5/20 0.34
IDH1 O75874 6/20 0.33
QPCT Q16769 2/20 0.33
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
CALML3 P27482 1/20 0.32
SDHA P31040 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
BPTF Q12830 1/20 0.32

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
SCHEMBL7196597 0.91 MAOB (0.36) MAOBMAOAIDH1QPCTLMNA
SCHEMBL6098143 0.82 CMA1 (0.36) MAOBMAOAIDH1QPCTLMNA
SCHEMBL14580120 0.78 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5383827 0.78 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6675442 0.78 MAOB (0.47) MAOBMAOAQPCTLMNAPTGS1
SCHEMBL2107339 0.74 IDH1 (0.38) IDH1QPCTBPTF
SCHEMBL6527480 0.72 CYP11B2 (0.34)
SCHEMBL8125549 0.72 HDAC1 (0.35) IDH1QPCTBPTF
SCHEMBL5381642 0.72 CALML3 (0.54) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6098395 0.69 MAOB (0.43) MAOBMAOALMNAPTGS1CALML3

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 11 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
EP-1345913-A2 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2003-09-24 EP claimed
WO-2002051819-A9 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2003-08-07 WO claimed
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 claimed
WO-2002051819-A2 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-07-04 WO claimed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7030148-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2006-04-18 US disclosed
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 disclosed
EP-1345913-A2 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2003-09-24 EP 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
WO-2002051819-A2 HETEROCYCLIC COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2002-07-04 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-20030065175-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX MAOB 364/4885MAOA 460/4885IDH1 2336/4885
US-20040059120-A1 Novel heterocyclic compounds having antibacterial activity: Process for their preparation and pharmaceutical compositions containing them MRPL21, Q6ZSR9, ZYX MAOB 348/4885MAOA 456/4885IDH1 2252/4885

“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.