SCHEMBL7873710

SCHEMBL7873710

O=C1C=CC2=Nc3ccccc3CC2=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP1A2 P05177 1/20 0.33
TRPA1 O75762 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
AHR P35869 1/20 0.32
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAOA P21397 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
TDP2 O95551 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
CASP9 P55211 1/20 0.30

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
SCHEMBL8994243 0.85 NOS3 (0.49) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL9279571 0.76 KDM4E (0.45) NOS3NOS1NOS2CYP1A2ALDH1A1
SCHEMBL19968930 0.74 NPSR1 (0.35)
SCHEMBL14141233 0.70 NOS3 (0.54) NOS3NOS1NOS2RAB9A
SCHEMBL10696135 0.68 HRH4 (0.35) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL8994244 0.67 PDE3B (0.42) PDE3BPDE3ACYP1A2ALDH1A1MAOA
SCHEMBL30804593 0.66 MAOA (0.38) AHRALDH1A1MAOANPC1MAPT
SCHEMBL3348606 0.66 MAOA (0.38) AHRALDH1A1MAOANPC1MAPT
SCHEMBL35438 0.65 NOS3 (0.48) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL3616940 0.65 NOS3 (0.48) NOS3NOS1NOS2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667397-B1 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof BAYER AG (US) 2001-10-04 EP claimed
EP-0667397-A1 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof Bayer Corporation (US) 1995-08-16 EP claimed
US-5393615-A Electrode with acridinone or dibenzoxazepinone mediator on surface MILES INC. (US) 1995-02-28 US claimed
JP-7310194-A None JP disclosed
US-11913884-B2 Visible light-activated dyes and methods of use thereof WILLIAM MARSH RICE UNIVERSITY (US) 2024-02-27 US disclosed
US-20200271587-A1 VISIBLE LIGHT-ACTIVATED DYES AND METHODS OF USE THEREOF WILLIAM MARSH RICE UNIVERSITY 2020-08-27 US disclosed
JP-H07310194-A MEDIATOR SUITABLE FOR ELECTROCHEMICAL REGENERATION OF NADH, NADPH OR ANALOGS THEREOF BAYER CORP 1995-11-28 JP disclosed
EP-0667397-A1 Mediators suitable for the electrochemical regeneration of NADH, NADPH or analogs thereof Bayer Corporation (US) 1995-08-16 EP disclosed
US-5393615-A Electrode with acridinone or dibenzoxazepinone mediator on surface MILES INC. (US) 1995-02-28 US disclosed
EP-0270946-A2 Chromogenic acridinone enzyme substrates MILES INC. (US) 1988-06-15 EP 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-20200271587-A1 VISIBLE LIGHT-ACTIVATED DYES AND METHODS OF USE THEREOF HCCS, CLTB, ALDH1A2 NOS3 949/4885NOS1 1884/4885NOS2 1340/4885
US-11913884-B2 Visible light-activated dyes and methods of use thereof HCCS, CLTB, ALDH1A2 NOS3 949/4885NOS1 1884/4885NOS2 1340/4885

“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.