SCHEMBL6137734

SCHEMBL6137734

O=C1Nc2ccccc2C2CCCC12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GSK3B P49841 2/20 0.41
PARP1 P09874 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
BRPF1 P55201 1/20 0.39
CREBBP Q92793 1/20 0.39
TDO2 P48775 1/20 0.39
HTR5A P47898 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL4761869 1.00 IDO1 (0.45) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL4763337 1.00 IDO1 (0.45) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL6642966 0.96 IDO1 (0.45) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL7252422 0.96 IDO1 (0.45) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL7927054 0.96 IDO1 (0.45) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL19985146 0.92 IDO1 (0.47) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL22907690 0.92 IDO1 (0.47) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL4241281 0.83 IDO1 (0.41) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL4478604 0.83 IDO1 (0.41) IDO1MAPTALDH1A1KDM4EGAA
SCHEMBL13627349 0.83 IDO1 (0.41) IDO1MAPTALDH1A1KDM4EGAA

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-20210179636-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2021-06-17 US disclosed
US-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-21 US disclosed
US-20190040083-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-07 US disclosed
WO-2017137743-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137742-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
EP-1129077-B9 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-07-20 EP disclosed
EP-1129077-B1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-04-20 EP disclosed
EP-1054869-B1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AG (DE) 2004-09-22 EP disclosed
US-6579883-B1 Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 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-20190040083-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD IDO1 1436/4885MAPT 3293/4885ALDH1A1 2206/4885
US-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS OXA1L, OGFOD1, OCIAD2 IDO1 341/4885MAPT 3901/4885ALDH1A1 1397/4885
US-20210179636-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD IDO1 1436/4885MAPT 3293/4885ALDH1A1 2206/4885

“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.